Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T43548 | Target Info | |||
| Target Name | B-cell lymphoma 6 protein (BCL-6) | ||||
| Synonyms | Zinc finger protein 51; Zinc finger and BTB domain-containing protein 27; ZNF51; ZBTB27; Protein LAZ-3; LAZ3; BCL5; BCL-6; BCL-5; B-cell lymphoma 5 protein | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | BCL6 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: PF-562271 | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | PDB:5X4O | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [1] |
| PDB Sequence |
LYFQGADSCI
9 QFTRHASDVL19 LNLNRLRSRD29 ILTDVVIVVS39 REQFRAHKTV49 LMACSGLFYS 59 IFTDQLKCNL69 SVINLDPEIN79 PEGFCILLDF89 MYTSRLNLRE99 GNIMAVMATA 109 MYLQMEHVVD119 TCRKFIKASE129
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| Ligand Name: 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 25a | PDB:6TOL | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [2] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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| Ligand Name: N-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 10 | PDB:7ZWQ | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K4O or .K4O2 or .K4O3 or :3K4O;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:77 or .A:79 or .A:103 or .A:104 or .A:107 or .A:113 or .A:114 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,3-Dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 18 | PDB:7ZWW | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [3] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K69 or .K692 or .K693 or :3K69;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Bcl6-IN-9 | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 1 | PDB:7Q7R | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [4] |
| PDB Sequence |
LYFQGADSCI
9 QFTRHASDVL19 LNLNRLRSRD29 ILTDVVIVVS39 REQFRAHKTV49 LMACSGLFYS 59 IFTDQLKCNL69 SVINLDPEIN79 PEGFCILLDF89 MYTSRLNLRE99 GNIMAVMATA 109 MYLQMEHVVD119 TCRKFIKASE129
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9IH or .9IH2 or .9IH3 or :39IH;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-chloro-4-[[(2S)-2,7-dimethyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 9a | PDB:7Q7U | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [4] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9IE or .9IE2 or .9IE3 or :39IE;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-chloro-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxo-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 12a | PDB:7Q7V | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | No | [4] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9GR or .9GR2 or .9GR3 or :39GR;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 17a | PDB:6TOJ | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [2] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NQQ or .NQQ2 or .NQQ3 or :3NQQ;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 1 | PDB:6TOM | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [2] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NQZ or .NQZ2 or .NQZ3 or :3NQZ;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 25 | PDB:7OKD | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [5] |
| PDB Sequence |
ENLYFQGADS
7 CIQFTRHASD17 VLLNLNRLRS27 RDILTDVVIV37 VSREQFRAHK47 TVLMACSGLF 57 YSIFTDQLKC67 NLSVINLDPE77 INPEGFCILL87 DFMYTSRLNL97 REGNIMAVMA 107 TAMYLQMEHV117 VDTCRKFIKA127 SE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VGW or .VGW2 or .VGW3 or :3VGW;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[(2-chlorophenyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 14 | PDB:7ZWT | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [3] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K5U or .K5U2 or .K5U3 or :3K5U;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CID 146189160 | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 12a | PDB:7QK0 | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [6] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EBL or .EBL2 or .EBL3 or :3EBL;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[(2-chloro-4-nitrophenyl)amino]-2,3-dihydro-1H-1,3-benzodiazol-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with Compound 1a | PDB:5X9O | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [7] |
| PDB Sequence |
LYFQGADSCI
9 QFTRHASDVL19 LNLNRLRSRD29 ILTDVVIVVS39 REQFRAHKTV49 LMACSGLFYS 59 IFTDQLKCNL69 SVINLDPEIN79 PEGFCILLDF89 MYTSRLNLRE99 GNIMAVMATA 109 MYLQMEHVVD119 TCRKFIKASE129
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .80R or .80R2 or .80R3 or :380R;style chemicals stick;color identity;select .A:21 or .A:24 or .A:25 or .A:28 or .A:30; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Amanozine | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with Compound 1 | PDB:5X4M | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7ZF or .7ZF2 or .7ZF3 or :37ZF;style chemicals stick;color identity;select .A:21 or .A:22 or .A:24 or .A:25; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3-[[4-Chloranyl-2-Nitro-5-[(2-Oxidanylidene-1,3-Dihydrobenzimidazol-5-Yl)amino]phenyl]amino]propanoic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with Compound 5 | PDB:5X9P | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [7] |
| PDB Sequence |
NLYFQGADSC
8 IQFTRHASDV18 LLNLNRLRSR28 DILTDVVIVV38 SREQFRAHKT48 VLMACSGLFY 58 SIFTDQLKCN68 LSVINLDPEI78 NPEGFCILLD88 FMYTSRLNLR98 EGNIMAVMAT 108 AMYLQMEHVV118 DTCRKFIKAS128 E
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .80L or .80L2 or .80L3 or :380L;style chemicals stick;color identity;select .A:21 or .A:24 or .A:25 or .A:28 or .A:30; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-Chloro-N4-Phenylpyrimidine-2,4-Diamine | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with Compound 4 | PDB:5X4N | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [1] |
| PDB Sequence |
LYFQGADSCI
9 QFTRHASDVL19 LNLNRLRSRD29 ILTDVVIVVS39 REQFRAHKTV49 LMACSGLFYS 59 IFTDQLKCNL69 SVINLDPEIN79 PEGFCILLDF89 MYTSRLNLRE99 GNIMAVMATA 109 MYLQMEHVVD119 TCRKFIKASE129
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7ZL or .7ZL2 or .7ZL3 or :37ZL;style chemicals stick;color identity;select .A:21 or .A:24 or .A:25 or .A:28; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Bcl6-IN-7 | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with Compound 7 | PDB:5X4Q | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
LYFQGADSCI
9 QFTRHASDVL19 LNLNRLRSRD29 ILTDVVIVVS39 REQFRAHKTV49 LMACSGLFYS 59 IFTDQLKCNL69 SVINLDPEIN79 PEGFCILLDF89 MYTSRLNLRE99 GNIMAVMATA 109 MYLQMEHVVD119 TCRKFIKASE129
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7Z6 or .7Z62 or .7Z63 or :37Z6;style chemicals stick;color identity;select .A:21 or .A:24 or .A:25 or .A:28; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[(5-Chloropyrimidin-4-yl)amino]-1,3-dihydroindol-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with Compound 6 | PDB:5X4P | ||||
| Method | X-ray diffraction | Resolution | 2.06 Å | Mutation | No | [1] |
| PDB Sequence |
LYFQGADSCI
9 QFTRHASDVL19 LNLNRLRSRD29 ILTDVVIVVS39 REQFRAHKTV49 LMACSGLFYS 59 IFTDQLKCNL69 SVINLDPEIN79 PEGFCILLDF89 MYTSRLNLRE99 GNIMAVMATA 109 MYLQMEHVVD119 TCRKFIKASE129
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7ZO or .7ZO2 or .7ZO3 or :37ZO;style chemicals stick;color identity;select .A:21 or .A:24 or .A:25 or .A:28; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine | Ligand Info | |||||
| Structure Description | HUMAN BCL6 BTB-DOMAIN IN COMPLEX WITH GSK137 | PDB:7BDE | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | Yes | [8] |
| PDB Sequence |
GSADSQIQFT
12 RHASDVLLNL22 NRLRSRDILT32 DVVIVVSREQ42 FRAHKTVLMA52 CSGLFYSIFT 62 DQLKRNLSVI72 NLDPEINPEG82 FNILLDFMYT92 SRLNLREGNI102 MAVMATAMYL 112 QMEHVVDTCR122 KFIKAS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TEQ or .TEQ2 or .TEQ3 or :3TEQ;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea | Ligand Info | |||||
| Structure Description | Crystal structure of BCL6 BTB domain with compound 15f | PDB:6C3L | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | Yes | [9] |
| PDB Sequence |
ADSQIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKRNLSVINL74 DPEINPEGFN84 ILLDFMYTSR94 LNLRVGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKAS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EGP or .EGP2 or .EGP3 or :3EGP;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide | Ligand Info | |||||
| Structure Description | BCL6 BTB domain in complex with 15a | PDB:6CQ1 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [9] |
| PDB Sequence |
DSQIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KRNLSVINLD75 PEINPEGFNI85 LLDFMYTSRL95 NLRVGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KAS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .F8J or .F8J2 or .F8J3 or :3F8J;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-phenylethyl)-N'-pyridin-3-ylthiourea | Ligand Info | |||||
| Structure Description | Crystal structure of BCL6 BTB domain in complex with compound 7CC5 | PDB:6C3N | ||||
| Method | X-ray diffraction | Resolution | 2.53 Å | Mutation | Yes | [9] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LRVGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 ASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EHY or .EHY2 or .EHY3 or :3EHY;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-7629 | PDB:7LWE | ||||
| Method | X-ray diffraction | Resolution | 1.17 Å | Mutation | Yes | [10] |
| PDB Sequence |
ASPADSQIQF
11 TRHASDVLLN21 LNRLRSRDIL31 TDVVIVVSRE41 QFRAHKTVLM51 ACSGLFYSIF 61 TDQLKRNLSV71 INLDPEINPE81 GFNILLDFMY91 TSRLNLREGN101 IMAVMATAMY 111 LQMEHVVDTC121 RKFIKAS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YND or .YND2 or .YND3 or :3YND;style chemicals stick;color identity;select .A:48 or .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-4425 | PDB:7LZQ | ||||
| Method | X-ray diffraction | Resolution | 1.71 Å | Mutation | Yes | [10] |
| PDB Sequence |
MASPADSQIQ
10 FTRHASDVLL20 NLNRLRSRDI30 LTDVVIVVSR40 EQFRAHKTVL50 MACSGLFYSI 60 FTDQLKRNLS70 VINLDPEINP80 EGFNILLDFM90 YTSRLNLREG100 NIMAVMATAM 110 YLQMEHVVDT120 CRKFIKAS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YJV or .YJV2 or .YJV3 or :3YJV;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 13e | PDB:7OKL | ||||
| Method | X-ray diffraction | Resolution | 1.20 Å | Mutation | No | [5] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VJ5 or .VJ52 or .VJ53 or :3VJ5;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 8e | PDB:7OKG | ||||
| Method | X-ray diffraction | Resolution | 1.32 Å | Mutation | No | [5] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VHB or .VHB2 or .VHB3 or :3VHB;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 19 | PDB:7ZWX | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | No | [3] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KA0 or .KA02 or .KA03 or :3KA0;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:59 or .A:113; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 2 | PDB:7ZWO | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [3] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KCB or .KCB2 or .KCB3 or :3KCB;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-fluorophenyl)-2-{[3-(3-methylbutyl)-4-oxo-3,4-dihydropteridin-2-yl]thio}acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 22 | PDB:7ZWZ | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [3] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K6I or .K6I2 or .K6I3 or :3K6I;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 12c and its enantiomer 12b | PDB:7OKJ | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [5] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VHZ or .VHZ2 or .VHZ3 or :3VHZ;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 12c and its enantiomer 12b | PDB:7OKJ | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [5] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VHN or .VHN2 or .VHN3 or :3VHN;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-[[5-Chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 23d | PDB:6TOK | ||||
| Method | X-ray diffraction | Resolution | 1.43 Å | Mutation | No | [2] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NQT or .NQT2 or .NQT3 or :3NQT;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 4 | PDB:7Q7S | ||||
| Method | X-ray diffraction | Resolution | 1.44 Å | Mutation | No | [4] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .97S or .97S2 or .97S3 or :397S;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-chloro-4-[[(2S)-2,7-dimethyl-5,6-dioxo-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 7 | PDB:7Q7T | ||||
| Method | X-ray diffraction | Resolution | 1.46 Å | Mutation | No | [4] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9FW or .9FW2 or .9FW3 or :39FW;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-[[2-[[(6S)-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetyl]amino]acetic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 11 | PDB:7ZWR | ||||
| Method | X-ray diffraction | Resolution | 1.47 Å | Mutation | No | [3] |
| PDB Sequence |
DSCIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KCNLSVINLD75 PEINPEGFCI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K4X or .K4X2 or .K4X3 or :3K4X;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 2 | PDB:7OKE | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [5] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VHQ or .VHQ2 or .VHQ3 or :3VHQ;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-Chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 13g | PDB:7OKM | ||||
| Method | X-ray diffraction | Resolution | 1.48 Å | Mutation | No | [5] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VJ2 or .VJ22 or .VJ23 or :3VJ2;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1,3-Dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 17 | PDB:7ZWV | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [3] |
| PDB Sequence |
DSCIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KCNLSVINLD75 PEINPEGFCI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .KA9 or .KA92 or .KA93 or :3KA9;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 8f | PDB:7OKH | ||||
| Method | X-ray diffraction | Resolution | 1.52 Å | Mutation | No | [5] |
| PDB Sequence |
DSCIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KCNLSVINLD75 PEINPEGFCI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KASE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VHK or .VHK2 or .VHK3 or :3VHK;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-chloro-4-[[3-[(2S)-2-hydroxybutyl]-1-methyl-2-oxobenzimidazol-5-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 11a | PDB:6TOO | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [2] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NR8 or .NR82 or .NR83 or :3NR8;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[3-Cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 13 | PDB:7ZWS | ||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [3] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K5I or .K5I2 or .K5I3 or :3K5I;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[3-(morpholin-4-yl)propyl]-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 15 | PDB:7ZWU | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [3] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K8R or .K8R2 or .K8R3 or :3K8R;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 6 | PDB:6TOH | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [2] |
| PDB Sequence |
DSCIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KCNLSVINLD75 PEINPEGFCI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KASE
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NQK or .NQK2 or .NQK3 or :3NQK;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 11f | PDB:6TOI | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [2] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NQN or .NQN2 or .NQN3 or :3NQN;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 8c | PDB:7OKF | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [5] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VH5 or .VH52 or .VH53 or :3VH5;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(Benzylamino)-2-chloronicotinonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 21 | PDB:7ZWY | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [3] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K6R or .K6R2 or .K6R3 or :3K6R;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(1,3-Dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 4 | PDB:6TOF | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [2] |
| PDB Sequence |
DSCIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KCNLSVINLD75 PEINPEGFCI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KASE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NQE or .NQE2 or .NQE3 or :3NQE;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 5 | PDB:6TOG | ||||
| Method | X-ray diffraction | Resolution | 1.69 Å | Mutation | No | [2] |
| PDB Sequence |
DSCIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KCNLSVINLD75 PEINPEGFCI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KASE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NQH or .NQH2 or .NQH3 or :3NQH;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 7 | PDB:7ZWP | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [3] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K4C or .K4C2 or .K4C3 or :3K4C;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[[6-[(2-chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 12e | PDB:7OKK | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [5] |
| PDB Sequence |
SCIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 CNLSVINLDP76 EINPEGFCIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 ASE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VH8 or .VH82 or .VH83 or :3VH8;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:59 or .A:113 or .A:114 or .A:115; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Bcl6-IN-4 | Ligand Info | |||||
| Structure Description | Crystal structure of human BCL6 BTB domain in complex with compound 25b | PDB:6TON | ||||
| Method | X-ray diffraction | Resolution | 2.36 Å | Mutation | No | [2] |
| PDB Sequence |
ADSCIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKCNLSVINL74 DPEINPEGFC84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKASE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .NR5 or .NR52 or .NR53 or :3NR5;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (E)-3-(7-(2-((3-chloropyridin-4-yl)amino)-2-oxoethyl)-3-(3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)acrylamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-8826 | PDB:7RV1 | ||||
| Method | X-ray diffraction | Resolution | 1.17 Å | Mutation | Yes | [11] |
| PDB Sequence |
DSQIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KRNLSVINLD75 PEINPEGFNI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KAS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7RH or .7RH2 or .7RH3 or :37RH;style chemicals stick;color identity;select .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:109 or .A:110 or .A:111 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-chloropyridin-4-yl)-2-{5-(3-cyanophenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-9153 | PDB:7RV4 | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [12] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7SO or .7SO2 or .7SO3 or :37SO;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:109 or .A:110 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-10268 | PDB:7RV8 | ||||
| Method | X-ray diffraction | Resolution | 1.25 Å | Mutation | Yes | [13] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7ST or .7ST2 or .7ST3 or :37ST;style chemicals stick;color identity;select .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:109 or .A:110 or .A:111 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-chloropyridin-4-yl)-2-(2-{[(2,4-dimethoxyphenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-8388 | PDB:7RUY | ||||
| Method | X-ray diffraction | Resolution | 1.27 Å | Mutation | Yes | [14] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7S0 or .7S02 or .7S03 or :37S0;style chemicals stick;color identity;select .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:59 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-8828 | PDB:7RV2 | ||||
| Method | X-ray diffraction | Resolution | 1.29 Å | Mutation | Yes | [15] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .828 or .8282 or .8283 or :3828;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:109 or .A:110 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-7859 | PDB:7RUW | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [16] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7RR or .7RR2 or .7RR3 or :37RR;style chemicals stick;color identity;select .A:48 or .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-chloropyridin-4-yl)-2-[2-(cyclopropylmethylamino)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-8311 | PDB:7RUX | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [17] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7RW or .7RW2 or .7RW3 or :37RW;style chemicals stick;color identity;select .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:58 or .A:59 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-chloropyridin-4-yl)-2-[2-(morpholin-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-9124 | PDB:7RV3 | ||||
| Method | X-ray diffraction | Resolution | 1.35 Å | Mutation | Yes | [18] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7R5 or .7R52 or .7R53 or :37R5;style chemicals stick;color identity;select .A:48 or .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:58 or .A:59 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-chloropyridin-4-yl)-2-(2-{[(2-fluorophenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-8446 | PDB:7RV0 | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | Yes | [19] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7RL or .7RL2 or .7RL3 or :37RL;style chemicals stick;color identity;select .A:48 or .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:58 or .A:59 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-12387 | PDB:7T0U | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | Yes | [20] |
| PDB Sequence |
QIQFTRHASD
17 VLLNLNRLRS27 RDILTDVVIV37 VSREQFRAHK47 TVLMACSGLF57 YSIFTDQLKR 67 NLSVINLDPE77 INPEGFNILL87 DFMYTSRLNL97 REGNIMAVMA107 TAMYLQMEHV 117 VDTCRKFIKA127 SE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .E3I or .E3I2 or .E3I3 or :3E3I;style chemicals stick;color identity;select .A:48 or .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-10269 | PDB:7RV9 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | Yes | [21] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7SZ or .7SZ2 or .7SZ3 or :37SZ;style chemicals stick;color identity;select .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:109 or .A:110 or .A:111 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-8445 | PDB:7RUZ | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | Yes | [22] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7S5 or .7S52 or .7S53 or :37S5;style chemicals stick;color identity;select .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:58 or .A:59 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-chloropyridin-4-yl)-2-{5-(3-cyano-4-hydroxyphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-9322 | PDB:7RV7 | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [23] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 ASE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7SH or .7SH2 or .7SH3 or :37SH;style chemicals stick;color identity;select .A:11 or .A:14 or .A:17 or .A:18 or .A:21 or .A:24 or .A:25 or .A:28; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(3-chloropyridin-4-yl)-2-{4-oxo-2-[(2-phenylethyl)amino]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-9288 | PDB:7RV6 | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | Yes | [24] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 ASE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7SC or .7SC2 or .7SC3 or :37SC;style chemicals stick;color identity;select .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:59 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-[2-(4-benzylpiperidin-1-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-9287 | PDB:7RV5 | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | Yes | [25] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7RB or .7RB2 or .7RB3 or :37RB;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:59 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of the BCL6 BTB domain complexed with the small molecule inhibitor 79-6 | PDB:3LBZ | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [26] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z89 or .Z892 or .Z893 or :3Z89;style chemicals stick;color identity;select .A:21 or .A:24 or .A:25 or .A:28 or .A:30 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(4-bromobenzenesulfonyl)acetamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the BCL6 BTB domain complexed with the small molecule inhibitor 79-6 | PDB:3LBZ | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [26] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Z88 or .Z882 or .Z883 or :3Z88;style chemicals stick;color identity;select .A:7 or .A:8 or .A:9 or .A:10; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: Trifluoroacetic Acid | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD2 peptide | PDB:6XZZ | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | Yes | [27] |
| PDB Sequence |
PDSQIQFTRH
14 ASDVLLNLNR24 LRSRDILTDV34 VIVVSREQFR44 AHKTVLMACS54 GLFYSIFTDQ 64 LKRNLSVINL74 DPEINPEGFN84 ILLDFMYTSR94 LNLREGNIMA104 VMATAMYLQM 114 EHVVDTCRKF124 IKAS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TFA or .TFA2 or .TFA3 or :3TFA;style chemicals stick;color identity;select .A:9; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 5-Chloranyl-~{n}-(4-Chlorophenyl)-2-(3,5-Dimethylpyrazol-1-Yl)pyrimidin-4-Amine | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB-domain with compound 1 | PDB:5MW6 | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [28] |
| PDB Sequence |
DSQIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KRNLSVINLD75 PEINPEGFNI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KA
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RC0 or .RC02 or .RC03 or :3RC0;style chemicals stick;color identity;select .A:21 or .A:24 or .A:25 or .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-[[5-Chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB-domain with compound 2 | PDB:5MWD | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [28] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TJ3 or .TJ32 or .TJ33 or :3TJ3;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Ligand Name: 2-[6-[[5-Chloranyl-2-[(3~{s},5~{r})-3,5-Dimethylpiperidin-1-Yl]pyrimidin-4-Yl]amino]-1-Methyl-2-Oxidanylidene-Quinolin-3-Yl]oxy-~{n}-Methyl-Ethanamide | Ligand Info | |||||
| Structure Description | CRYSTAL STRUCTURE OF BCL-6 BTB-domain with BI-3802 | PDB:5MW2 | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [28] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .U52 or .U522 or .U523 or :3U52;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-9320 | PDB:7LWF | ||||
| Method | X-ray diffraction | Resolution | 1.22 Å | Mutation | Yes | [10] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YNA or .YNA2 or .YNA3 or :3YNA;style chemicals stick;color identity;select .A:11 or .A:14 or .A:17 or .A:18 or .A:21 or .A:24 or .A:25 or .A:28 or .A:30; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-12694 | PDB:7LWG | ||||
| Method | X-ray diffraction | Resolution | 1.30 Å | Mutation | Yes | [10] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YN7 or .YN72 or .YN73 or :3YN7;style chemicals stick;color identity;select .A:50 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:58 or .A:89 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-10256 | PDB:7LZR | ||||
| Method | X-ray diffraction | Resolution | 1.34 Å | Mutation | Yes | [29] |
| PDB Sequence |
DSQIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KRNLSVINLD75 PEINPEGFNI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KAS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YJJ or .YJJ2 or .YJJ3 or :3YJJ;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:89 or .A:113 or .A:114 or .A:115 or .A:116 or .A:117 or .A:118; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with OICR-11029 | PDB:7LZS | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | Yes | [10] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .YJS or .YJS2 or .YJS3 or :3YJS;style chemicals stick;color identity;select .A:11 or .A:14 or .A:17 or .A:18 or .A:21 or .A:24 or .A:25 or .A:28; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Anilinopyrimidine ligand | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand | PDB:6EW8 | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [30] |
| PDB Sequence |
DSQIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KRNLSVINLD75 PEINPEGFNI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KAS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C0Q or .C0Q2 or .C0Q3 or :3C0Q;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:56 or .A:58 or .A:59 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | PDB:5N20 | ||||
| Method | X-ray diffraction | Resolution | 1.38 Å | Mutation | Yes | [31] |
| PDB Sequence |
DSQIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KRNLSVINLD75 PEINPEGFNI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KAS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GN or .8GN2 or .8GN3 or :38GN;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:59 or .A:113 or .A:115; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand | PDB:6EW6 | ||||
| Method | X-ray diffraction | Resolution | 1.39 Å | Mutation | No | [30] |
| PDB Sequence |
DSQIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KRNLSVINLD75 PEINPEGFNI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTARKFI125 KAS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C0H or .C0H2 or .C0H3 or :3C0H;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (12S,14S,17E)-12-(hydroxymethyl)-24-oxo-15,20-dioxa-2,4,5,9,11,23-hexazahexacyclo[19.7.1.13,10.111,14.04,8.022,27]hentriaconta-1(28),3(31),5,7,9,17,21(29),22(27)-octaene-7-carbonitrile | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand | PDB:5N1Z | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | Yes | [31] |
| PDB Sequence |
DSQIQFTRHA
15 SDVLLNLNRL25 RSRDILTDVV35 IVVSREQFRA45 HKTVLMACSG55 LFYSIFTDQL 65 KRNLSVINLD75 PEINPEGFNI85 LLDFMYTSRL95 NLREGNIMAV105 MATAMYLQME 115 HVVDTCRKFI125 KAS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8GQ or .8GQ2 or .8GQ3 or :38GQ;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:59 or .A:113 or .A:114 or .A:115 or .A:116; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-[(2S)-1-[3-cyano-7-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]acetic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | PDB:5N21 | ||||
| Method | X-ray diffraction | Resolution | 1.58 Å | Mutation | No | [31] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8HN or .8HN2 or .8HN3 or :38HN;style chemicals stick;color identity;select .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:114 or .A:115 or .A:116; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-Chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand | PDB:6EW7 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [30] |
| PDB Sequence |
SQIQFTRHAS
16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTCRKFIK126 AS
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C1W or .C1W2 or .C1W3 or :3C1W;style chemicals stick;color identity;select .A:48 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .A:113 or .A:115; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-ethyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine | Ligand Info | |||||
| Structure Description | Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand | PDB:5N1X | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | No | [31] |
| PDB Sequence |
> Chain A
QIQFTRHASD 17 VLLNLNRLRS27 RDILTDVVIV37 VSREQFRAHK47 TVLMACSGLF57 YSIFTDQLKR 67 NLSVINLDPE77 INPEGFNILL87 DFMYTSRLNL97 REGNIMAVMA107 TAMYLQMEHV 117 VDTARKFIKA127 S> Chain B SQIQFTRHAS 16 DVLLNLNRLR26 SRDILTDVVI36 VVSREQFRAH46 KTVLMACSGL56 FYSIFTDQLK 66 RNLSVINLDP76 EINPEGFNIL86 LDFMYTSRLN96 LREGNIMAVM106 ATAMYLQMEH 116 VVDTARKFIK126 A> Chain D QIQFTRHASD 17 VLLNLNRLRS27 RDILTDVVIV37 VSREQFRAHK47 TVLMACSGLF57 YSIFTDQLKR 67 NLSVINLDPE77 INPEGFNILL87 DFMYTSRLNL97 REGNIMAVMA107 TAMYLQMEHV 117 VDTARKFI
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8HH or .8HH2 or .8HH3 or :38HH;style chemicals stick;color identity;select .A:21 or .A:24 or .A:25 or .A:28 or .A:51 or .A:52 or .A:53 or .A:54 or .A:55 or .A:58 or .B:21 or .B:24 or .B:25 or .B:28 or .B:51 or .B:52 or .B:53 or .B:54 or .B:55 or .B:58 or .D:21 or .D:24 or .D:25 or .D:28; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASN21[A]
3.436
ARG24[A]
3.598
LEU25[A]
3.364
ARG28[A]
4.781
MET51[A]
2.947
ALA52[A]
3.466
CYS53[A]
3.712
SER54[A]
3.912
GLY55[A]
4.197
TYR58[A]
3.343
ASN21[B]
3.329
ARG24[B]
3.326
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of a B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor by a Biophysics-Driven Fragment-Based Approach. J Med Chem. 2017 May 25;60(10):4358-4368. | ||||
| REF 2 | Achieving In Vivo Target Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. J Med Chem. 2020 Apr 23;63(8):4047-4068. | ||||
| REF 3 | Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays. Sci Rep. 2022 Nov 3;12(1):18633. | ||||
| REF 4 | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors. J Med Chem. 2022 Jun 23;65(12):8169-8190. | ||||
| REF 5 | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. J Med Chem. 2021 Dec 9;64(23):17079-17097. | ||||
| REF 6 | Improved Binding Affinity and Pharmacokinetics Enable Sustained Degradation of BCL6 In Vivo. J Med Chem. 2022 Jun 23;65(12):8191-8207. | ||||
| REF 7 | Discovery of a novel B-cell lymphoma 6 (BCL6)-corepressor interaction inhibitor by utilizing structure-based drug design. Bioorg Med Chem. 2017 Sep 1;25(17):4876-4886. | ||||
| REF 8 | GSK137, a potent small-molecule BCL6 inhibitor with in?vivo activity, suppresses antibody responses in mice. J Biol Chem. 2021 Aug;297(2):100928. | ||||
| REF 9 | Identification of Thiourea-Based Inhibitors of the B-Cell Lymphoma 6 BTB Domain via NMR-Based Fragment Screening and Computer-Aided Drug Design. J Med Chem. 2018 Sep 13;61(17):7573-7588. | ||||
| REF 10 | Discovery of OICR12694: A Novel, Potent, Selective, and Orally Bioavailable BCL6 BTB Inhibitor. ACS Med Chem Lett. 2023 Jan 12;14(2):199-210. | ||||
| REF 11 | Crystal structure of the BCL6 BTB domain in complex with OICR-8826 | ||||
| REF 12 | Structure of the BCL6 BTB domain | ||||
| REF 13 | Structure of the BCL6 BTB domain | ||||
| REF 14 | Crystal structure of the BCL6 BTB domain in complex with OICR-8388 | ||||
| REF 15 | Crystal structure of the BCL6 BTB domain in complex with OICR-8828 | ||||
| REF 16 | Crystal structure of the BCL6 BTB domain in complex with OICR-7859 | ||||
| REF 17 | Crystal structure of the BCL6 BTB domain in complex with OICR-8311 | ||||
| REF 18 | Structure of the BCL6 BTB domain | ||||
| REF 19 | Crystal structure of the BCL6 BTB domain in complex with OICR-8446 | ||||
| REF 20 | Crystal structure of the BCL6 BTB domain in complex with OICR-12387 | ||||
| REF 21 | Structure of the BCL6 BTB domain | ||||
| REF 22 | Crystal structure of the BCL6 BTB domain in complex with OICR-8445 | ||||
| REF 23 | Structure of the BCL6 BTB domain | ||||
| REF 24 | Structure of the BCL6 BTB domain | ||||
| REF 25 | Structure of the BCL6 BTB domain | ||||
| REF 26 | A small-molecule inhibitor of BCL6 kills DLBCL cells in vitro and in vivo. Cancer Cell. 2010 Apr 13;17(4):400-11. | ||||
| REF 27 | Functionalization of the BCL6 BTB domain into a noncovalent crystallization chaperone. IUCrJ. 2021 Jan 11;8(Pt 2):154-160. | ||||
| REF 28 | Chemically Induced Degradation of the Oncogenic Transcription Factor BCL6. Cell Rep. 2017 Sep 19;20(12):2860-2875. | ||||
| REF 29 | Crystal structure of the BCL6 BTB domain in complex with OICR-10256 | ||||
| REF 30 | Development of a Novel B-Cell Lymphoma 6 (BCL6) PROTAC To Provide Insight into Small Molecule Targeting of BCL6. ACS Chem Biol. 2018 Nov 16;13(11):3131-3141. | ||||
| REF 31 | Discovery of Pyrazolo[1,5-a]pyrimidine B-Cell Lymphoma 6 (BCL6) Binders and Optimization to High Affinity Macrocyclic Inhibitors. J Med Chem. 2017 May 25;60(10):4386-4402. | ||||
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