Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T87109 | Target Info | |||
| Target Name | Casein kinase I delta (CSNK1D) | ||||
| Synonyms | Tau-protein kinase CSNK1D; HCKID; Casein kinase I isoform delta; CKId; CKI-delta | ||||
| Target Type | Preclinical Target | ||||
| Gene Name | CSNK1D | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine monophosphate | Ligand Info | |||||
| Structure Description | Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 2 and 3 | PDB:7P7G | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
RYRLGRKIGS
17 GSFGDIYLGT27 DIAAGEEVAI37 KLECVKTKHP47 QLHIESKIYK57 MMQGGVGIPT 67 IRWCGAEGDY77 NVMVMELLGP87 SLEDLFNFCS97 RKFSLKTVLL107 LADQMISRIE 117 YIHSKNFIHR127 DVKPDNFLMG137 LGKKGNLVYI147 IDFGLAKKYR157 DARTHQHIPY 167 RENKNLTGTA177 RYASINTHLG187 IEQSRRDDLE197 SLGYVLMYFN207 LGSLPWQGLK 217 AAKRQKYERI228 SEKKMSTPIE238 VLCKGYPSEF248 ATYLNFCRSL258 RFDDKPDYSY 268 LRQLFRNLFH278 RQGFSYDYVF288 DWNMLK
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: PF-4800567 | Ligand Info | |||||
| Structure Description | Crystal structure of ck1d in complex with pf4800567 | PDB:4HNF | ||||
| Method | X-ray diffraction | Resolution | 2.07 Å | Mutation | No | [2] |
| PDB Sequence |
LRVGNRYRLG
12 RKIGSGSFGD22 IYLGTDIAAG32 EEVAIKLECV42 KPQLHIESKI55 YKMMQGGVGI 65 PTIRWCGAEG75 DYNVMVMELL85 GPSLEDLFNF95 CSRKFSLKTV105 LLLADQMISR 115 IEYIHSKNFI125 HRDVKPDNFL135 MGLGKKGNLV145 YIIDFGLAKK155 YRDARTHQHI 165 PYRENKNLTG175 TARYASINTH185 LGIEQSRRDD195 LESLGYVLMY205 FNLGSLPWQG 215 LKAATKRQKY225 ERISEKKMST235 PIEVLCKGYP245 SEFATYLNFC255 RSLRFDDKPD 265 YSYLRQLFRN275 LFHRQGFSYD285 YVFDWNMLK
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| Ligand Name: CGS-15943 | Ligand Info | |||||
| Structure Description | Crystal structure of human Casein Kinase I delta in complex with CGS-15943 | PDB:7NZY | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [3] |
| PDB Sequence |
RVGNRYRLGR
13 KIGSGSFGDI23 YLGTDIAAGE33 EVAIKLECVK43 TKHPQLHIES53 KIYKMMQGGV 63 GIPTIRWCGA73 EGDYNVMVME83 LLGPSLEDLF93 NFCSRKFSLK103 TVLLLADQMI 113 SRIEYIHSKN123 FIHRDVKPDN133 FLMGLGKKGN143 LVYIIDFGLA153 KKYRQHIPYR 168 ENKNLTGTAR178 YASINTHLGI188 EQSRRDDLES198 LGYVLMYFNL208 GSLPWQGLKA 218 AKRQKYERIS229 EKKMSTPIEV239 LCKGYPSEFA249 TYLNFCRSLR259 FDDKPDYSYL 269 RQLFRNLFHR279 QGFSYDYVFD289 WNMLK
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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 .UX2 or .UX22 or .UX23 or :3UX2;style chemicals stick;color identity;select .A:15 or .A:16 or .A:17 or .A:18 or .A:23 or .A:36 or .A:56 or .A:66 or .A:80 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:135 or .A:148 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phosphonothreonine | Ligand Info | |||||
| Structure Description | Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 2 and 3 | PDB:7P7G | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | No | [1] |
| PDB Sequence |
RYRLGRKIGS
17 GSFGDIYLGT27 DIAAGEEVAI37 KLECVKTKHP47 QLHIESKIYK57 MMQGGVGIPT 67 IRWCGAEGDY77 NVMVMELLGP87 SLEDLFNFCS97 RKFSLKTVLL107 LADQMISRIE 117 YIHSKNFIHR127 DVKPDNFLMG137 LGKKGNLVYI147 IDFGLAKKYR157 DARTHQHIPY 167 RENKNLTGTA177 RYASINTHLG187 IEQSRRDDLE197 SLGYVLMYFN207 LGSLPWQGLK 217 AAKRQKYERI228 SEKKMSTPIE238 VLCKGYPSEF248 ATYLNFCRSL258 RFDDKPDYSY 268 LRQLFRNLFH278 RQGFSYDYVF288 DWNMLK
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:218 or .A:219 or .A:221 or .A:222; 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: adenosine diphosphate | Ligand Info | |||||
| Structure Description | Crystal structure of Casein Kinase I delta (CK1d) in complex with triple phosphorylated p63 PAD3P peptide | PDB:6RU8 | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [4] |
| PDB Sequence |
ELRVGNRYRL
11 GRKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLKAATK221 RQKYERISEK231 KMSTPIEVLC241 KGYPSEFATY251 LNFCRSLRFD 261 DKPDYSYLRQ271 LFRNLFHRQG281 FSYDYVFDWN291 MLK
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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 .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:20 or .A:23 or .A:36 or .A:38 or .A:52 or .A:56 or .A:66 or .A:80 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:132 or .A:133 or .A:135 or .A:148 or .A:149 or .A:150; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE15
3.794
GLY16
3.585
SER17
3.569
GLY18
3.476
SER19
4.994
PHE20
4.421
ILE23
3.426
ALA36
3.539
LYS38
2.749
GLU52
2.453
TYR56
2.433
PRO66
4.984
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | Crystal structure of Casein Kinase I delta (CK1d) in complex with triple phosphorylated p63 PAD3P peptide | PDB:6RU8 | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | No | [4] |
| PDB Sequence |
ELRVGNRYRL
11 GRKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLKAATK221 RQKYERISEK231 KMSTPIEVLC241 KGYPSEFATY251 LNFCRSLRFD 261 DKPDYSYLRQ271 LFRNLFHRQG281 FSYDYVFDWN291 MLK
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .A:19 or .A:128 or .A:130 or .A:133 or .A:149 or .A:152 or .A:175 or .A:176 or .A:177 or .A:178 or .A:213 or .A:214 or .A:215 or .A:216 or .A:224 or .A:228; 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: L-betagamma-meATP | Ligand Info | |||||
| Structure Description | Crystal structure of Casein Kinase I delta (CK1d) in complex with monophosphorylated p63 PAD1P peptide | PDB:6RU6 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [4] |
| PDB Sequence |
LRVGNRYRLG
12 RKIGSDIYLG26 TDIAAGEEVA36 IKLECVKTKH46 PQLHIESKIY56 KMMQGGVGIP 66 TIRWCGAEGD76 YNVMVMELLG86 PSLEDLFNFC96 SRKFSLKTVL106 LLADQMISRI 116 EYIHSKNFIH126 RDVKPDNFLM136 GLGKKGNLVY146 IIDFGLAKKY156 RDARTHQHIP 166 YRENKNLTGT176 ARYASINTHL186 GIEQSRRDDL196 ESLGYVLMYF206 NLGSLPWQGL 216 KAATKRQKYE226 RISEKKMSTP236 IEVLCKGYPS246 EFATYLNFCR256 SLRFDDKPDY 266 SYLRQLFRNL276 FHRQGFSYDY286 VFDWNMLK
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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 .ACP or .ACP2 or .ACP3 or :3ACP;style chemicals stick;color identity;select .A:15 or .A:16 or .A:17 or .A:23 or .A:36 or .A:38 or .A:66 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:132 or .A:133 or .A:135 or .A:148 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: B-Octylglucoside | Ligand Info | |||||
| Structure Description | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4- carboxamide derivatives as potent inhibitors of CK1d/e | PDB:4TWC | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [5] |
| PDB Sequence |
ELRVGNRYRL
11 GNKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLKATKR222 QKYERISEKK232 MSTPIEVLCK242 GYPSEFATYL252 NFCRSLRFDD 262 KPDYSYLRQL272 FRNLFHRQGF282 SYDYVFDWNM292 LKF
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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 .BOG or .BOG2 or .BOG3 or :3BOG;style chemicals stick;color identity;select .A:14 or .A:15 or .A:16 or .A:17 or .A:25 or .A:84 or .A:94 or .A:95 or .A:293; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}-N-Methylmethanamine | Ligand Info | |||||
| Structure Description | CK1d in complex with 1-{4-[3-(4-FLUOROPHENYL)-1-METHYL-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}-N-METHYLMETHANAMINE ligand | PDB:4KB8 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | No | [6] |
| PDB Sequence |
LRVGNRYRLG
12 RKIGSGSFGD22 IYLGTDIAAG32 EEVAIKLECV42 KTKHPQLHIE52 SKIYKMMQGG 62 VGIPTIRWCG72 AEGDYNVMVM82 ELLGPSLEDL92 FNFCSRKFSL102 KTVLLLADQM 112 ISRIEYIHSK122 NFIHRDVKPD132 NFLMGLGKKG142 NLVYIIDFGL152 AKKYGTARYA 180 SINTHLGIEQ190 SRRDDLESLG200 YVLMYFNLGS210 LPWQGLKERI228 SEKKMSTPIE 238 VLCKGYPSEF248 ATYLNFCRSL258 RFDDKPDYSY268 LRQLFRNLFH278 RQGFSYDYVF 288 DWNML
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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 .1QN or .1QN2 or .1QN3 or :31QN;style chemicals stick;color identity;select .A:15 or .A:17 or .A:18 or .A:23 or .A:36 or .A:37 or .A:38 or .A:52 or .A:56 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:91 or .A:132 or .A:133 or .A:135 or .A:148 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE15
3.405
SER17
2.577
GLY18
3.071
ILE23
2.947
ALA36
2.527
ILE37
3.260
LYS38
3.622
GLU52
4.650
TYR56
3.578
MET80
2.789
VAL81
4.254
MET82
2.697
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| Ligand Name: 9-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]-2,3,4,5-Tetrahydropyrido[2,3-F][1,4]oxazepine | Ligand Info | |||||
| Structure Description | CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor | PDB:4KBA | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [6] |
| PDB Sequence |
LRVGNRYRLG
12 RKIGSGSFGD22 IYLGTDIAAG32 EEVAIKLECV42 KTKHPQLHIE52 SKIYKMMQGG 62 VGIPTIRWCG72 AEGDYNVMVM82 ELLGPSLEDL92 FNFCSRKFSL102 KTVLLLADQM 112 ISRIEYIHSK122 NFIHRDVKPD132 NFLMGLGKKG142 NLVYIIDFGL152 AKKYGTARYA 180 SINTHLGIEQ190 SRRDDLESLG200 YVLMYFNLGS210 LPWQGLRISE230 KKMSTPIEVL 240 CKGYPSEFAT250 YLNFCRSLRF260 DDKPDYSYLR270 QLFRNLFHRQ280 GFSYDYVFDW 290 NML
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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 .1QM or .1QM2 or .1QM3 or :31QM;style chemicals stick;color identity;select .A:15 or .A:17 or .A:18 or .A:19 or .A:23 or .A:24 or .A:25 or .A:36 or .A:37 or .A:38 or .A:52 or .A:56 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:91 or .A:132 or .A:133 or .A:135 or .A:148 or .A:149; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE15
3.048
SER17
2.592
GLY18
3.399
SER19
4.907
ILE23
2.836
TYR24
4.870
LEU25
4.269
ALA36
2.693
ILE37
2.944
LYS38
3.426
GLU52
4.800
TYR56
3.392
MET80
2.801
VAL81
4.382
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| Ligand Name: 4-(3-(4-Fluorophenyl)-1-methyl-1H-pyrazol-4-yl)-6-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one | Ligand Info | |||||
| Structure Description | Identification and Profiling of a Selective and Brain Penetrant Radioligand for In Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors | PDB:5W4W | ||||
| Method | X-ray diffraction | Resolution | 1.99 Å | Mutation | No | [7] |
| PDB Sequence |
LRVGNRYRLG
12 RKIGSGSFGD22 IYLGTDIAAG32 EEVAIKLECV42 KTKHPQLHIE52 SKIYKMMQGG 62 VGIPTIRWCG72 AEGDYNVMVM82 ELLGPSLEDL92 FNFCSRKFSL102 KTVLLLADQM 112 ISRIEYIHSK122 NFIHRDVKPD132 NFLMGLGKKG142 NLVYIIDFGL152 AKKYRDARTH 162 QHIPYRENKN172 LTGTARYASI182 NTHLGIEQSR192 RDDLESLGYV202 LMYFNLGSLP 212 WQGLKAATKR222 QKYERISEKK232 MSTPIEVLCK242 GYPSEFATYL252 NFCRSLRFDD 262 KPDYSYLRQL272 FRNLFHRQGF282 SYDYVFDWNM292 L
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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 .9WG or .9WG2 or .9WG3 or :39WG;style chemicals stick;color identity;select .A:15 or .A:16 or .A:17 or .A:18 or .A:19 or .A:23 or .A:36 or .A:37 or .A:38 or .A:52 or .A:56 or .A:68 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:132 or .A:133 or .A:135 or .A:148 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE15
2.956
GLY16
3.907
SER17
2.677
GLY18
3.273
SER19
4.661
ILE23
2.839
ALA36
2.553
ILE37
3.360
LYS38
3.330
GLU52
4.880
TYR56
3.594
ILE68
4.437
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| Ligand Name: (3s)-3-{4-[3-(4-Fluorophenyl)-1-Methyl-1h-Pyrazol-4-Yl]pyridin-2-Yl}morpholine | Ligand Info | |||||
| Structure Description | CK1d in complex with (3S)-3-{4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]pyridin-2-yl}morpholine inhibitor | PDB:4KBK | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [6] |
| PDB Sequence |
LRVGNRYRLG
12 RKIGSGGDIY24 LGTDIAAGEE34 VAIKLECQLH50 IESKIYKMMQ60 GGVGIPTIRW 70 CGAEGDYNVM80 VMELLGPSLE90 DLFNFCSRKF100 SLKTVLLLAD110 QMISRIEYIH 120 SKNFIHRDVK130 PDNFLMGLGK140 KGNLVYIIDF150 GLAKKYRDAR160 THQHIPYREN 170 KNLTGTARYA180 SINTHLGIEQ190 SRRDDLESLG200 YVLMYFNLGS210 LPWQGLKAAT 220 KRQKYERISE230 KKMSTPIEVL240 CKGYPSEFAT250 YLNFCRSLRF260 DDKPDYSYLR 270 QLFRNLFHRQ280 GFSYDYVFDW290 NML
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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 .1QG or .1QG2 or .1QG3 or :31QG;style chemicals stick;color identity;select .A:15 or .A:17 or .A:18 or .A:23 or .A:25 or .A:36 or .A:37 or .A:38 or .A:52 or .A:56 or .A:68 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:132 or .A:133 or .A:135 or .A:138 or .A:148 or .A:149; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE15
2.992
SER17
2.688
GLY18
3.138
ILE23
3.043
LEU25
3.521
ALA36
2.837
ILE37
3.249
LYS38
3.612
GLU52
4.748
TYR56
3.540
ILE68
4.457
MET80
3.009
VAL81
4.555
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| Ligand Name: 4-{4-(4-Fluorophenyl)-1-[1-(1,2-Oxazol-3-Ylmethyl)piperidin-4-Yl]-1h-Imidazol-5-Yl}pyrimidin-2-Amine | Ligand Info | |||||
| Structure Description | CK1d in complex with inhibitor | PDB:4TN6 | ||||
| Method | X-ray diffraction | Resolution | 2.41 Å | Mutation | No | [8] |
| PDB Sequence |
ELRVGNRYRL
11 GRKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLKAATK221 RQKYERISEK231 KMSTPIEVLC241 KGYPSEFATY251 LNFCRSLRFD 261 DKPDYSYLRQ271 LFRNLFHRQG281 FSYDYVFDWN291 ML
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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 .PFO or .PFO2 or .PFO3 or :3PFO;style chemicals stick;color identity;select .A:15 or .A:16 or .A:23 or .A:36 or .A:37 or .A:38 or .A:56 or .A:68 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:90 or .A:91 or .A:132 or .A:135 or .A:148 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE15
4.181
GLY16
4.168
ILE23
3.519
ALA36
3.502
ILE37
4.151
LYS38
3.622
TYR56
4.189
ILE68
3.690
MET80
3.422
VAL81
3.654
MET82
3.316
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| Ligand Name: {4-[3-(4-Fluorophenyl)-1h-Pyrazol-4-Yl]pyridin-2-Yl}methanol | Ligand Info | |||||
| Structure Description | CK1d in complex with {4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}METHANOL inhibitor | PDB:4KBC | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | No | [6] |
| PDB Sequence |
ELRVGNRYRL
11 GRKIGSDIYL25 GTDIAAGEEV35 AIKLECVKTK45 HPQLHIESKI55 YKMMQGGVGI 65 PTIRWCGAEG75 DYNVMVMELL85 GPSLEDLFNF95 CSRKFSLKTV105 LLLADQMISR 115 IEYIHSKNFI125 HRDVKPDNFL135 MGLGKKGNLV145 YIIDFGLAKK155 YRDARTHQHI 165 PYRENKNLTG175 TARYASINTH185 LGIEQSRRDD195 LESLGYVLMY205 FNLGSLPWQG 215 LKAATKRQKY225 ERISEKKMST235 PIEVLCKGYP245 SEFATYLNFC255 RSLRFDDKPD 265 YSYLRQLFRN275 LFHRQGFSYD285 YVFDWNML
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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 .1QJ or .1QJ2 or .1QJ3 or :31QJ;style chemicals stick;color identity;select .A:15 or .A:23 or .A:25 or .A:36 or .A:37 or .A:38 or .A:52 or .A:56 or .A:68 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:135 or .A:148 or .A:149; 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-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azothiazole-based inhibitor (compound 2) | PDB:6HMR | ||||
| Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | No | [9] |
| PDB Sequence |
NRYRLGRKIG
16 SGSFGDIYLG26 TDIAAEEVAI37 KLECVKTKHP47 QLHIESKIYK57 MMQGGVGIPT 67 IRWCGAEGDY77 NVMVMELLGP87 SLEDLFNFCS97 RKFSLKTVLL107 LADQMISRIE 117 YIHSKNFIHR127 DVKPDNFLMG137 LGKKGNLVYI147 IDFGLAKKYR157 DARTHQHIPY 167 RENKNLTGTA177 RYASINTHLG187 IEQSRRDDLE197 SLGYVLMYFN207 LGSLPWQGLK 217 AATKRQKYER227 ISEKKMSTPI237 EVLCKGYPSE247 FATYLNFCRS257 LRFDDKPDYS 267 YLRQLFRNLF277 HRQGFSYDYV287 FDWNMLK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GE5 or .GE52 or .GE53 or :3GE5;style chemicals stick;color identity;select .A:15 or .A:17 or .A:18 or .A:19 or .A:23 or .A:24 or .A:25 or .A:34 or .A:36 or .A:37 or .A:38 or .A:52 or .A:56 or .A:66 or .A:68 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:130 or .A:132 or .A:133 or .A:135 or .A:138 or .A:148 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ILE15
2.931
SER17
2.646
GLY18
2.135
SER19
4.610
ILE23
2.511
TYR24
4.722
LEU25
2.137
GLU34
3.937
ALA36
2.314
ILE37
3.189
LYS38
3.029
GLU52
4.721
TYR56
3.437
PRO66
4.936
ILE68
3.686
MET80
2.235
|
|||||
| Ligand Name: (9~{S},10~{S},11~{R})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Casein Kinase I delta in complex with compound 31b | PDB:6F26 | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [10] |
| PDB Sequence |
LRVGNRYRLG
12 RKIGDIYLGT27 DIAAGEEVAI37 KLECVLHIES53 KIYKMMQGGV63 GIPTIRWCGA 73 EGDYNVMVME83 LLGPSLEDLF93 NFCSRKFSLK103 TVLLLADQMI113 SRIEYIHSKN 123 FIHRDVKPDN133 FLMGLGKKGN143 LVYIIDFGLA153 KKYRDARTHQ163 HIPYRENKNL 173 TGTARYASIN183 THLGIEQSRR193 DDLESLGYVL203 MYFNLGSLPW213 QGLKAATKRQ 223 KYERISEKKM233 STPIEVLCKG243 YPSEFATYLN253 FCRSLRFDDK263 PDYSYLRQLF 273 RNLFHRQGFS283 YDYVFDWNML293
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .C9Z or .C9Z2 or .C9Z3 or :3C9Z;style chemicals stick;color identity;select .A:13 or .A:15 or .A:16 or .A:23 or .A:25 or .A:34 or .A:36 or .A:37 or .A:38 or .A:49 or .A:56 or .A:68 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:91 or .A:132 or .A:133 or .A:135 or .A:138 or .A:148 or .A:149; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG13
4.600
ILE15
2.625
GLY16
2.812
ILE23
2.521
LEU25
3.357
GLU34
3.960
ALA36
2.489
ILE37
3.367
LYS38
3.124
LEU49
4.797
TYR56
3.480
ILE68
3.717
MET80
2.452
VAL81
3.762
|
|||||
| Ligand Name: (9~{R},10~{R},11~{S})-~{N}-[4-[3-(4-fluorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]pyridin-2-yl]-4-(4-methoxyphenyl)-10,11-bis(oxidanyl)-1,7-diazatricyclo[7.3.0.0^{3,7}]dodeca-3,5-diene-6-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Casein Kinase I delta in complex with compound 31a | PDB:6F1W | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | No | [10] |
| PDB Sequence |
> Chain A
LRVGNRYRLG 12 RKIGSGGDIY24 LGTDIAAGEE34 VAIKLECVKP47 QLHIESKIYK57 MMQGGVGIPT 67 IRWCGAEGDY77 NVMVMELLGP87 SLEDLFNFCS97 RKFSLKTVLL107 LADQMISRIE 117 YIHSKNFIHR127 DVKPDNFLMG137 LGKKGNLVYI147 IDFGLAKKYR157 DARTHQHIPY 167 RENKNLTGTA177 RYASINTHLG187 IEQSRRDDLE197 SLGYVLMYFN207 LGSLPWQGLK 217 AAKRQKYERI228 SEKKMSTPIE238 VLCKGYPSEF248 ATYLNFCRSL258 RFDDKPDYSY 268 LRQLFRNLFH278 RQGFSYDYVF288 DWNM> Chain B MELRVGNRYR 10 LGRKIGDIYL25 GTDIAAGEEV35 AIKLECVLHI51 ESKIYKMMQG61 GVGIPTIRWC 71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ111 MISRIEYIHS 121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART161 HQHIPYRENK 171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL211 PWQGLKAATK 221 RQKYERISEK231 KMSTPIEVLC241 KGYPSEFATY251 LNFCRSLRFD261 DKPDYSYLRQ 271 LFRNLFHRQG281 FSYDYVFDWN291
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CG5 or .CG52 or .CG53 or :3CG5;style chemicals stick;color identity;select .A:13 or .A:15 or .A:25 or .A:87 or .A:91 or .A:92 or .A:95 or .A:15 or .A:16 or .A:17 or .A:18 or .A:23 or .A:24 or .A:25 or .A:34 or .A:36 or .A:37 or .A:38 or .A:56 or .A:68 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:91 or .A:132 or .A:133 or .A:135 or .A:138 or .A:148 or .A:149 or .B:13 or .B:15 or .B:16 or .B:23 or .B:25 or .B:34 or .B:36 or .B:37 or .B:38 or .B:56 or .B:68 or .B:80 or .B:81 or .B:82 or .B:83 or .B:84 or .B:85 or .B:86 or .B:87 or .B:88 or .B:91 or .B:132 or .B:133 or .B:135 or .B:138 or .B:148 or .B:149 or .B:13 or .B:15 or .B:25 or .B:87 or .B:88 or .B:91 or .B:92 or .B:95; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG13[A]
2.159
ILE15[A]
3.148
LEU25[A]
3.561
PRO87[A]
2.803
ASP91[A]
2.690
LEU92[A]
2.218
PHE95[A]
2.232
ILE15[A]
2.850
GLY16[A]
2.862
SER17[A]
3.024
GLY18[A]
3.390
ILE23[A]
2.346
TYR24[A]
4.983
LEU25[A]
3.492
GLU34[A]
4.075
ALA36[A]
2.415
ILE37[A]
3.113
LYS38[A]
3.008
TYR56[A]
3.607
ILE68[A]
3.928
MET80[A]
2.149
VAL81[A]
3.899
MET82[A]
2.593
GLU83[A]
2.804
LEU84[A]
2.403
LEU85[A]
2.192
GLY86[A]
3.404
PRO87[A]
2.071
SER88[A]
3.343
ASP91[A]
2.565
ASP132[A]
3.302
ASN133[A]
4.414
LEU135[A]
2.537
LEU138[A]
3.124
ILE148[A]
2.361
ASP149[A]
4.440
ARG13[B]
4.815
ILE15[B]
2.765
GLY16[B]
2.976
ILE23[B]
2.418
LEU25[B]
3.517
GLU34[B]
3.968
ALA36[B]
2.390
ILE37[B]
3.322
LYS38[B]
3.041
TYR56[B]
3.336
ILE68[B]
3.776
MET80[B]
2.198
VAL81[B]
3.935
MET82[B]
2.750
GLU83[B]
2.829
LEU84[B]
2.419
LEU85[B]
2.193
GLY86[B]
3.360
PRO87[B]
2.383
SER88[B]
3.480
ASP91[B]
2.907
ASP132[B]
3.442
ASN133[B]
4.383
LEU135[B]
2.321
LEU138[B]
3.146
ILE148[B]
2.235
ASP149[B]
4.445
ARG13[B]
2.417
ILE15[B]
2.937
LEU25[B]
3.037
PRO87[B]
2.640
SER88[B]
4.939
ASP91[B]
2.716
LEU92[B]
2.258
PHE95[B]
2.609
|
|||||
| Ligand Name: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azoimidazole-based Inhibitor (compound 3) | PDB:6HMP | ||||
| Method | X-ray diffraction | Resolution | 2.04 Å | Mutation | No | [9] |
| PDB Sequence |
RYRLGRKIGS
17 GSFGDIYLGT27 DIAAEEVAIK38 LECVKTKHPQ48 LHIESKIYKM58 MQGGVGIPTI 68 RWCGAEGDYN78 VMVMELLGPS88 LEDLFNFCSR98 KFSLKTVLLL108 ADQMISRIEY 118 IHSKNFIHRD128 VKPDNFLMGL138 GKKGNLVYII148 DFGLAKKYRD158 ARTHQHIPYR 168 ENKNLTGTAR178 YASINTHLGI188 EQSRRDDLES198 LGYVLMYFNL208 GSLPWQGLKA 218 ATKRQKYERI228 SEKKMSTPIE238 VLCKGYPSEF248 ATYLNFCRSL258 RFDDKPDYSY 268 LRQLFRNLFH278 RQGFSYDYVF288 DWNMLK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GEW or .GEW2 or .GEW3 or :3GEW;style chemicals stick;color identity;select .A:13 or .A:15 or .A:17 or .A:18 or .A:19 or .A:23 or .A:24 or .A:25 or .A:34 or .A:36 or .A:37 or .A:38 or .A:56 or .A:66 or .A:68 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:130 or .A:132 or .A:133 or .A:135 or .A:138 or .A:148 or .A:149; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG13
2.554
ILE15
3.068
SER17
3.226
GLY18
2.102
SER19
3.060
ILE23
2.184
TYR24
4.437
LEU25
2.488
GLU34
4.397
ALA36
2.309
ILE37
2.963
LYS38
2.800
TYR56
3.581
PRO66
4.851
ILE68
3.884
MET80
2.110
|
|||||
| Ligand Name: N-(6-Methyl-2-benzothiazolyl)-2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-acetamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Casein Kinase I delta in complex with IWP-2 | PDB:5OKT | ||||
| Method | X-ray diffraction | Resolution | 2.13 Å | Mutation | No | [11] |
| PDB Sequence |
> Chain A
RVGNRYRLGR 13 KIGSGSFGDI23 YLGTDIAAGE33 EVAIKLECVK43 TKHPQLHIES53 KIYKMMQGGV 63 GIPTIRWCGA73 EGDYNVMVME83 LLGPSLEDLF93 NFCSRKFSLK103 TVLLLADQMI 113 SRIEYIHSKN123 FIHRDVKPDN133 FLMGLGKKGN143 LVYIIDFGLA153 KKYRQHIPYR 168 ENKNLTGTAR178 YASINTHLGI188 EQSRRDDLES198 LGYVLMYFNL208 GSLPWQGLKA 218 AKRQKYERIS229 EKKMSTPIEV239 LCKGYPSEFA249 TYLNFCRSLR259 FDDKPDYSYL 269 RQLFRNLFHR279 QGFSYDYVFD289 WNMLK> Chain C RVGNRYRLGR 13 KIGGSFGDIY24 LGTDIAAGEE34 VAIKLECPQL49 HIESKIYKMM59 QGGVGIPTIR 69 WCGAEGDYNV79 MVMELLGPSL89 EDLFNFCSRK99 FSLKTVLLLA109 DQMISRIEYI 119 HSKNFIHRDV129 KPDNFLMGLG139 KKGNLVYIID149 FGLAKKYRDA159 RTHQHIPYRE 169 NKNLTGTARY179 ASINTHLGIE189 QSRRDDLESL199 GYVLMYFNLG209 SLPWQGLKAA 219 TKRQKYERIS229 EKKMSTPIEV239 LCKGYPSEFA249 TYLNFCRSLR259 FDDKPDYSYL 269 RQLFRNLFHR279 QGFSYDYVFD289 WNMLK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9XK or .9XK2 or .9XK3 or :39XK;style chemicals stick;color identity;select .A:14 or .A:15 or .A:16 or .A:23 or .A:25 or .A:34 or .A:36 or .A:38 or .A:56 or .A:66 or .A:80 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:91 or .A:135 or .A:138 or .A:148 or .A:149 or .C:14 or .C:15 or .C:16 or .C:23 or .C:25 or .C:36 or .C:38 or .C:52 or .C:56 or .C:66 or .C:80 or .C:82 or .C:83 or .C:84 or .C:85 or .C:86 or .C:87 or .C:88 or .C:91 or .C:135 or .C:138 or .C:148 or .C:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS14[A]
3.853
ILE15[A]
2.380
GLY16[A]
4.539
ILE23[A]
2.682
LEU25[A]
2.055
GLU34[A]
3.069
ALA36[A]
3.110
LYS38[A]
3.330
TYR56[A]
2.924
PRO66[A]
3.354
MET80[A]
3.386
MET82[A]
2.393
GLU83[A]
2.562
LEU84[A]
2.938
LEU85[A]
1.836
GLY86[A]
2.845
PRO87[A]
3.134
SER88[A]
4.890
ASP91[A]
4.938
LEU135[A]
3.008
LEU138[A]
4.917
ILE148[A]
2.873
ASP149[A]
3.531
LYS14[C]
3.557
ILE15[C]
2.444
GLY16[C]
4.885
ILE23[C]
3.406
LEU25[C]
2.283
ALA36[C]
3.189
LYS38[C]
3.447
GLU52[C]
4.973
TYR56[C]
2.677
PRO66[C]
3.163
MET80[C]
3.516
MET82[C]
2.658
GLU83[C]
2.245
LEU84[C]
1.928
LEU85[C]
1.995
GLY86[C]
3.060
PRO87[C]
3.150
SER88[C]
4.407
ASP91[C]
4.302
LEU135[C]
2.834
LEU138[C]
2.468
ILE148[C]
2.756
ASP149[C]
3.506
|
|||||
| Ligand Name: 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-Fluorphenyl)-2-(Methylthio)-1h-Imidazol-4-Yl)-Pyridin-2-Yl)-1-Methyl-1h-Pyrrole-2-Carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of human Casein Kinase I delta in complex with 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide | PDB:5MQV | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | No | [12] |
| PDB Sequence |
RYRLGRKIGS
17 GSFGDIYLGT27 DIAAGEEVAI37 KLECVKTKHP47 QLHIESKIYK57 MMQGGVGIPT 67 IRWCGAEGDY77 NVMVMELLGP87 SLEDLFNFCS97 RKFSLKTVLL107 LADQMISRIE 117 YIHSKNFIHR127 DVKPDNFLMG137 LGKKGNLVYI147 IDFGLAKKYR157 DARTHQHIPY 167 RENKNLTGTA177 RYASINTHLG187 IEQSRRDDLE197 SLGYVLMYFN207 LGSLPWQGLK 217 AATKRQKYER227 ISEKKMSTPI237 EVLCKGYPSE247 FATYLNFCRS257 LRFDDKPDYS 267 YLRQLFRNLF277 HRQGFSYDYV287 FDWNML
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D5Q or .D5Q2 or .D5Q3 or :3D5Q;style chemicals stick;color identity;select .A:13 or .A:15 or .A:16 or .A:17 or .A:18 or .A:23 or .A:24 or .A:25 or .A:36 or .A:37 or .A:38 or .A:52 or .A:56 or .A:68 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:91 or .A:132 or .A:135 or .A:138 or .A:148 or .A:149; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG13
2.818
ILE15
2.258
GLY16
3.315
SER17
3.451
GLY18
3.767
ILE23
2.333
TYR24
4.762
LEU25
2.520
ALA36
2.231
ILE37
3.019
LYS38
2.869
GLU52
4.961
TYR56
3.399
ILE68
3.927
MET80
2.293
|
|||||
| Ligand Name: N-((6,7-Difluoro-1H-benzo[d]imidazol-2-yl)methyl)-9-(3-fluorophenyl)-2-morpholino-9H-purin-6-amine | Ligand Info | |||||
| Structure Description | Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor | PDB:6RCG | ||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | No | [13] |
| PDB Sequence |
SMMELRVGNR
8 YRLGRKIGSG18 SFGDIYLGTD28 IAAGEEVAIK38 LECVKTKHPQ48 LHIESKIYKM 58 MQGGVGIPTI68 RWCGAEGDYN78 VMVMELLGPS88 LEDLFNFCSR98 KFSLKTVLLL 108 ADQMISRIEY118 IHSKNFIHRD128 VKPDNFLMGL138 GKKGNLVYII148 DFGLAKKYRD 158 ARTHQHIPYR168 ENKNLTGTAR178 YASINTHLGI188 EQSRRDDLES198 LGYVLMYFNL 208 GSLPWQGLKA218 ATKRQKYERI228 SEKKMSTPIE238 VLCKGYPSEF248 ATYLNFCRSL 258 RFDDKPDYSY268 LRQLFRNLFH278 RQGFSYDYVF288 DWNML
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K0E or .K0E2 or .K0E3 or :3K0E;style chemicals stick;color identity;select .A:13 or .A:15 or .A:16 or .A:17 or .A:23 or .A:25 or .A:36 or .A:37 or .A:38 or .A:56 or .A:66 or .A:80 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:91 or .A:135 or .A:148; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG13
3.531
ILE15
3.205
GLY16
3.506
SER17
3.728
ILE23
3.040
LEU25
4.332
ALA36
3.419
ILE37
4.992
LYS38
3.529
TYR56
3.351
PRO66
4.254
|
|||||
| Ligand Name: N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-naphthalen-2-ylpurin-6-amine | Ligand Info | |||||
| Structure Description | Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor | PDB:6RCH | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [14] |
| PDB Sequence |
ELRVGNRYRL
11 GRKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLKAATK221 RQKYERISEK231 KMSTPIEVLC241 KGYPSEFATY251 LNFCRSLRFD 261 DKPDYSYLRQ271 LFRNLFHRQG281 FSYDYVFDWN291 MLK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .K0B or .K0B2 or .K0B3 or :3K0B;style chemicals stick;color identity;select .A:13 or .A:15 or .A:16 or .A:17 or .A:23 or .A:25 or .A:36 or .A:38 or .A:52 or .A:56 or .A:66 or .A:80 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:91 or .A:135 or .A:148 or .A:149 or .A:150; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG13
2.334
ILE15
3.256
GLY16
3.541
SER17
3.990
ILE23
3.500
LEU25
3.625
ALA36
3.477
LYS38
3.870
GLU52
3.377
TYR56
3.231
PRO66
3.840
MET80
3.962
|
|||||
| Ligand Name: 2-{2-[(3,4-Difluorophenoxy)methyl]-5-Methoxypyridin-4-Yl}-1,5,6,7-Tetrahydro-4h-Pyrrolo[3,2-C]pyridin-4-One | Ligand Info | |||||
| Structure Description | Crystal structure of ck1d with compound 13 | PDB:4HGT | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [15] |
| PDB Sequence |
YRLGRKIGSG
18 SFGDIYLGTD28 IAAGEEVAIK38 LECVHPQLHI51 ESKIYKMMQG61 GVGIPTIRWC 71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ111 MISRIEYIHS 121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART161 HQHIPYRENK 171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL211 PWQGLKAATK 221 RQKYERISEK231 KMSTPIEVLC241 KGYPSEFATY251 LNFCRSLRFD261 DKPDYSYLRQ 271 LFRNLFHRQG281 FSYDYVFDWN291 MLK
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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 .15G or .15G2 or .15G3 or :315G;style chemicals stick;color identity;select .A:15 or .A:17 or .A:18 or .A:19 or .A:23 or .A:25 or .A:36 or .A:38 or .A:52 or .A:56 or .A:66 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:133 or .A:135 or .A:148 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PF-670462 free base | Ligand Info | |||||
| Structure Description | crystal structure of ck1d with PF670462 from P21 crystal form | PDB:3UZP | ||||
| Method | X-ray diffraction | Resolution | 1.94 Å | Mutation | No | [16] |
| PDB Sequence |
LRVGNRYRLG
12 RKIGSGSFGD22 IYLGTDIAAG32 EEVAIKLECV42 KTKHPQLHIE52 SKIYKMMQGG 62 VGIPTIRWCG72 AEGDYNVMVM82 ELLGPSLEDL92 FNFCSRKFSL102 KTVLLLADQM 112 ISRIEYIHSK122 NFIHRDVKPD132 NFLMGLGKKG142 NLVYIIDFGL152 AKKYRDARTH 162 QHIPYRENKN172 LTGTARYASI182 NTHLGIEQSR192 RDDLESLGYV202 LMYFNLGSLP 212 WQGLKAATKR222 QKYERISEKK232 MSTPIEVLCK242 GYPSEFATYL252 NFCRSLRFDD 262 KPDYSYLRQL272 FRNLFHRQGF282 SYDYVFDWNM292 LK
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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 .0CK or .0CK2 or .0CK3 or :30CK;style chemicals stick;color identity;select .A:15 or .A:16 or .A:17 or .A:18 or .A:23 or .A:36 or .A:37 or .A:38 or .A:56 or .A:68 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:88 or .A:91 or .A:132 or .A:135 or .A:148 or .A:149; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE15
3.772
GLY16
4.161
SER17
3.774
GLY18
4.257
ILE23
3.560
ALA36
3.454
ILE37
4.257
LYS38
3.717
TYR56
3.702
ILE68
3.750
MET80
3.157
VAL81
4.319
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Casein Kinase inhibitor A86 | Ligand Info | |||||
| Structure Description | Crystal Structure of Human CKIdelta with A86 | PDB:6GZM | ||||
| Method | X-ray diffraction | Resolution | 1.59 Å | Mutation | Yes | [17] |
| PDB Sequence |
VGNRYRLGNK
14 IGSGSFGDIY24 LGTDIAAGEE34 VAIKLECVKT44 KHPQLHIESK54 IYKMMQGGVG 64 IPTIRWCGAE74 GDYNVMVMEL84 LGPSLEDLFN94 FCSRKFSLKT104 VLLLADQMIS 114 RIEYIHSKNF124 IHRDVKPDNF134 LMGLGKKGNL144 VYIIDFGLAK154 KYRDARTHQH 164 IPYRENKNLT174 GTARYASINT184 HLGIEQSRRD194 DLESLGYVLM204 YFNLGSLPWQ 214 GLKAATKRQK224 YERISEKKMS234 TPIEVLCKGY244 PSEFATYLNF254 CRSLRFDDKP 264 DYSYLRQLFR274 NLFHRQGFSY284 DYVFDWNMLK294 F
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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 .LCI or .LCI2 or .LCI3 or :3LCI;style chemicals stick;color identity;select .A:15 or .A:16 or .A:17 or .A:18 or .A:23 or .A:36 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:91 or .A:133 or .A:135 or .A:148 or .A:149; 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-(Trifluoromethoxy)benzoyl]amino}-N-[6-(Trifluoromethyl)-1h-Benzimidazol-2-Yl]-1,3-Thiazole-4-Carboxamide | Ligand Info | |||||
| Structure Description | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4- carboxamide derivatives as potent inhibitors of CK1d/e | PDB:4TWC | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [5] |
| PDB Sequence |
ELRVGNRYRL
11 GNKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLKATKR222 QKYERISEKK232 MSTPIEVLCK242 GYPSEFATYL252 NFCRSLRFDD 262 KPDYSYLRQL272 FRNLFHRQGF282 SYDYVFDWNM292 LKF
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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 .37J or .37J2 or .37J3 or :337J;style chemicals stick;color identity;select .A:15 or .A:23 or .A:36 or .A:38 or .A:56 or .A:66 or .A:80 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:91 or .A:92 or .A:95 or .A:135 or .A:148 or .A:149 or .A:293 or .A:295; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE15
3.934
ILE23
3.514
ALA36
3.572
LYS38
4.304
TYR56
2.891
PRO66
4.336
MET80
3.701
MET82
3.711
GLU83
3.209
LEU84
3.825
LEU85
2.841
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| Ligand Name: N-(2,2-Difluoro-5h-[1,3]dioxolo[4,5-F]benzimidazol-6-Yl)-2-{[2-(Trifluoromethoxy)benzoyl]amino}-1,3-Thiazole-4-Carboxamide | Ligand Info | |||||
| Structure Description | Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation | PDB:4TW9 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [18] |
| PDB Sequence |
ELRVGNRYRL
11 GNKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLKAAKY225 ERISEKKMST235 PIEVLCKGYP245 SEFATYLNFC255 RSLRFDDKPD 265 YSYLRQLFRN275 LFHRQGFSYD285 YVFDWNMLKF295
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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 .386 or .3862 or .3863 or :3386;style chemicals stick;color identity;select .A:15 or .A:23 or .A:36 or .A:38 or .A:56 or .A:66 or .A:80 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:88 or .A:91 or .A:92 or .A:95 or .A:135 or .A:148 or .A:149 or .A:293 or .A:295; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE15
3.613
ILE23
3.536
ALA36
3.399
LYS38
4.095
TYR56
2.723
PRO66
4.668
MET80
3.611
MET82
3.096
GLU83
3.374
LEU84
3.814
LEU85
2.760
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| Ligand Name: Octyl Beta-L-Talopyranoside | Ligand Info | |||||
| Structure Description | Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation | PDB:4TW9 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [18] |
| PDB Sequence |
ELRVGNRYRL
11 GNKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLKAAKY225 ERISEKKMST235 PIEVLCKGYP245 SEFATYLNFC255 RSLRFDDKPD 265 YSYLRQLFRN275 LFHRQGFSYD285 YVFDWNMLKF295
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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 .HSJ or .HSJ2 or .HSJ3 or :3HSJ;style chemicals stick;color identity;select .A:14 or .A:15 or .A:16 or .A:17 or .A:25 or .A:84 or .A:94 or .A:95 or .A:293 or .A:294; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Mesotartaric acid | Ligand Info | |||||
| Structure Description | Human Casein Kinase 1 isoform delta apo (kinase domain) | PDB:5IH4 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [19] |
| PDB Sequence |
ELRVGNRYRL
11 GRKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLQKYER227 ISEKKMSTPI237 EVLCKGYPSE247 FATYLNFCRS257 LRFDDKPDYS 267 YLRQLFRNLF277 HRQGFSYDYV287 FDWNMLK
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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 .SRT or .SRT2 or .SRT3 or :3SRT;style chemicals stick;color identity;select .A:50 or .A:53 or .A:57 or .A:71 or .A:72; color #00ffc7; 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: 6-(3-Chlorophenyl)pteridine-2,4,7-Triamine | Ligand Info | |||||
| Structure Description | Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A | PDB:5IH5 | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | No | [19] |
| PDB Sequence |
ELRVGNRYRL
11 GRKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLQKYER227 ISEKKMSTPI237 EVLCKGYPSE247 FATYLNFCRS257 LRFDDKPDYS 267 YLRQLFRNLF277 HRQGFSYDYV287 FDWNMLK
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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 .AUE or .AUE2 or .AUE3 or :3AUE;style chemicals stick;color identity;select .A:15 or .A:16 or .A:17 or .A:18 or .A:23 or .A:36 or .A:37 or .A:38 or .A:52 or .A:56 or .A:80 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:135 or .A:148 or .A:149; 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-(3-Bromophenyl)pteridine-2,4,7-Triamine | Ligand Info | |||||
| Structure Description | Human Casein Kinase 1 isoform delta (kinase domain) in complex with Epiblastin A derivative | PDB:5IH6 | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [19] |
| PDB Sequence |
ELRVGNRYRL
11 GRKIGSGSFG21 DIYLGTDIAA31 GEEVAIKLEC41 VKTKHPQLHI51 ESKIYKMMQG 61 GVGIPTIRWC71 GAEGDYNVMV81 MELLGPSLED91 LFNFCSRKFS101 LKTVLLLADQ 111 MISRIEYIHS121 KNFIHRDVKP131 DNFLMGLGKK141 GNLVYIIDFG151 LAKKYRDART 161 HQHIPYRENK171 NLTGTARYAS181 INTHLGIEQS191 RRDDLESLGY201 VLMYFNLGSL 211 PWQGLQKYER227 ISEKKMSTPI237 EVLCKGYPSE247 FATYLNFCRS257 LRFDDKPDYS 267 YLRQLFRNLF277 HRQGFSYDYV287 FDWNML
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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 .AUG or .AUG2 or .AUG3 or :3AUG;style chemicals stick;color identity;select .A:15 or .A:16 or .A:17 or .A:23 or .A:36 or .A:37 or .A:38 or .A:52 or .A:56 or .A:80 or .A:81 or .A:82 or .A:83 or .A:84 or .A:85 or .A:86 or .A:87 or .A:135 or .A:148 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Kinase domain autophosphorylation rewires the activity and substrate specificity of CK1 enzymes. Mol Cell. 2022 Jun 2;82(11):2006-2020.e8. | ||||
| REF 2 | Structural basis for the potent and selective inhibition of casein kinase 1 epsilon. J Med Chem. 2012 Nov 26;55(22):10307-11. | ||||
| REF 3 | Triazolo[1,5-c]chinazolines as Selective BMP Signaling Amplifiers By Combined Targeting of Specific PI3K and CK1 Isoforms | ||||
| REF 4 | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis. Nat Chem Biol. 2020 Oct;16(10):1078-1086. | ||||
| REF 5 | 2-Benzamido-N-(1H-benzo[d]imidazol-2-yl)thiazole-4-carboxamide derivatives as potent inhibitors of CK1Delta/Epsilon. Amino Acids. 2012 Oct;43(4):1577-91. | ||||
| REF 6 | Ligand-protein interactions of selective casein kinase 1 inhibitors. J Med Chem. 2013 Sep 12;56(17):6819-28. | ||||
| REF 7 | Identification and Profiling of a Selective and Brain Penetrant Radioligand for in Vivo Target Occupancy Measurement of Casein Kinase 1 (CK1) Inhibitors. ACS Chem Neurosci. 2017 Sep 20;8(9):1995-2004. | ||||
| REF 8 | CK1D IN COMPLEX WITH inhibitor | ||||
| REF 9 | 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem Photobiol Sci. 2019 Jun 12;18(6):1398-1407. | ||||
| REF 10 | Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds. Molecules. 2019 Mar 1;24(5):873. | ||||
| REF 11 | Discovery of Inhibitor of Wnt Production 2 (IWP-2) and Related Compounds As Selective ATP-Competitive Inhibitors of Casein Kinase 1 (CK1) Delta/Epsilon. J Med Chem. 2018 May 10;61(9):4087-4102. | ||||
| REF 12 | Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1Delta and Their Structural Relation to p38Alpha MAPK. Molecules. 2017 Mar 24;22(4):522. | ||||
| REF 13 | Crystal structure of Casein kinase 1 delta (CK1 delta) complexed with SR3029 inhibitor | ||||
| REF 14 | Crystal structure of Casein kinase I isoform delta (CK1 delta) complexed with SR4133 inhibitor | ||||
| REF 15 | Structure-Based Design of Potent and Selective CK1gamma Inhibitors. ACS Med Chem Lett. 2012 Oct 18;3(12):1059-64. | ||||
| REF 16 | Structural basis for the interaction between casein kinase 1 delta and a potent and selective inhibitor. J Med Chem. 2012 Jan 26;55(2):956-60. | ||||
| REF 17 | Small Molecules Co-targeting CKIAlpha and the Transcriptional Kinases CDK7/9 Control AML in Preclinical Models. Cell. 2018 Sep 20;175(1):171-185.e25. | ||||
| REF 18 | Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1Delta and Epsilon with nanomolar inhibitory activity on cancer cell proliferation. J Med Chem. 2014 Oct 9;57(19):7933-46. | ||||
| REF 19 | Epiblastin A Induces Reprogramming of Epiblast Stem Cells Into Embryonic Stem Cells by Inhibition of Casein Kinase 1. Cell Chem Biol. 2016 Apr 21;23(4):494-507. | ||||
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