Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T64567 | Target Info | |||
| Target Name | Carbonic anhydrase IX (CA-IX) | ||||
| Synonyms | Renal cell carcinoma-associated antigen G250; RCC-associated antigen G250; PMW1; P54/58N; Membrane antigen MN; MN; G250 antigen (MN/CA IX/G250); G250; Carbonic anhydrase 9; Carbonate dehydratase IX; CAIX | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | CA9 | ||||
| Biochemical Class | Alpha-carbonic anhydrase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Acetazolamide | Ligand Info | |||||
| Structure Description | Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX | PDB:3IAI | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPDQSHWRYG
8 GDPPWPRVSP21 ACAGRFQSPV31 DIRPQLAAFS41 PALRPLELLG50A FQLPPLPELR 58 LRNNGHSVQL68 TLPPGLEMAL81 GPGREYRALQ92 LHLHWGAAGR102 PGSEHTVEGH 112 RFPAEIHVVH122 LSTAFARVDE133 ALGRPGGLAV143 LAAFLEEGPE152 ENSAYEQLLS 162 RLEEIAEEGS172 ETQVPGLDIS182 ALLPSDFSRY191 FQYEGSLTTP201 PCAQGVIWTV 211 FNQTVMLSAK221 QLHTLSDTLW230 GPGDSRLQLN244 FRATQPLNGR254 VIEASFP |
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| Ligand Name: 4-[2-[3-(Cyclooctylamino)-2,5,6-tris(fluoranyl)-4-sulfamoyl-phenyl]sulfanylethyl]benzoic acid | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | PDB:6G9U | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [2] |
| PDB Sequence |
RVSPACAGRF
27 QSPVDIRPQL37 AAFSPALRPL47 ELLGFQLPPL54B PELRLRNNGH64 SVQLTLPPGL 77 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI118 HVVHLSTAFA 129 RVDEALGRPG139 GLAVLAAFLE149 EGPEENSAYE158 QLLSRLEEIA168 EEGSETQVPG 178 LDISALLPSD188 FSRYFQYEGS197 LTTPPCAQGV207 IWTVFNQTVM217 LSAKQLHTLS 227 DTLWGPGDSR240 LQLNFRATQP250 LNGRVIEASF260 P
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| Ligand Name: 5-(1-Naphthalen-1-Yl-1,2,3-Triazol-4-Yl)thiophene-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-naphthalen-1-yl-1,2,3-triazol-4-yl)thiophene-2-sulfonamide | PDB:5FL4 | ||||
| Method | X-ray diffraction | Resolution | 1.82 Å | Mutation | Yes | [3] |
| PDB Sequence |
WRYGGDPPWP
18 RVSPACAGRF28 QSPVDIRPQL38 AAFSPALRPL48 ELLGFQLPPL58 PELRLRNNGH 68 SVQLTLPPGL78 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI 118 HVVHLSTAFA128 RVDEALGRPG138 GLAVLAAFLE148 EGPEENSAYE158 QLLSRLEEIA 168 EEGSETQVPG178 LDISALLPSD188 FSRYFQYEGS198 LTTPPCAQGV208 IWTVFNQTVM 218 LSAKQLHTLS228 DTLWGPGDSR238 LQLNFRATQP248 LNGRVIEASF258 P |
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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 .9FK or .9FK2 or .9FK3 or :39FK;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:142 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:210; 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-(Cyclooctylamino)-3,5,6-Trifluoro-4-[(2-Hydroxyethyl)sulfanyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. | PDB:6FE0 | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | Yes | [2] |
| PDB Sequence |
SPACAGRFQS
29 PVDIRPQLAA39 FSPALRPLEL49 LGFQLPPLPE56 LRLRNNGHSV66 QLTLPPGLEM 79 ALGPGREYRA90 LQLHLHWGAA100 GRPGSEHTVE110 GHRFPAEIHV120 VHLSTAFARV 131 DEALGRPGGL141 AVLAAFLEEG151 PEENSAYEQL160 LSRLEEIAEE170 GSETQVPGLD 180 ISALLPSDFS189A RYFQYEGSLT199 TPPCAQGVIW209 TVFNQTVMLS219 AKQLHTLSDT 228 LWGPGDSRLQ242 LNFRATQPLN252 GRVIEASFP
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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 .V90 or .V902 or .V903 or :3V90;style chemicals stick;color identity;select .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; 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-(Cyclooctylamino)-2,5,6-Trifluoro-4-[(2-Hydroxyethyl)sulfonyl]benzenesulfonamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide. | PDB:6FE1 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [2] |
| PDB Sequence |
WRYGGDPPWP
17 RVSPACAGRF27 QSPVDIRPQL37 AAFSPALRPL47 ELLGFQLPPL54B PELRLRNNGH 64 SVQLTLPPGL77 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI 118 HVVHLSTAFA129 RVDEALGRPG139 GLAVLAAFLE149 EGPEENSAYE158 QLLSRLEEIA 168 EEGSETQVPG178 LDISALLPSD188 FSRYFQYEGS197 LTTPPCAQGV207 IWTVFNQTVM 217 LSAKQLHTLS227 DTLWGPGDSR240 LQLNFRATQP250 LNGRVIEASF260 P |
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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 .V14 or .V142 or .V143 or :3V14;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.341
TYR7
4.378
ASN62
2.987
HIS64
4.479
SER65
4.058
GLN67
3.541
LEU91
4.076
GLN92
3.128
HIS94
3.062
HIS96
3.086
GLU106
3.550
HIS119
3.258
|
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| Ligand Name: 5-[1-(4-Methylphenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methylphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide | PDB:5FL6 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [3] |
| PDB Sequence |
WRYGGDPPWP
18 RVSPACAGRF28 QSPVDIRPQL38 AAFSPALRPL48 ELLGFQLPPL58 PELRLRNNGH 68 SVQLTLPPGL78 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI 118 HVVHLSTAFA128 RVDEALGRPG138 GLAVLAAFLE148 EGPEENSAYE158 QLLSRLEEIA 168 EEGSETQVPG178 LDISALLPSD188 FSRYFQYEGS198 LTTPPCAQGV208 IWTVFNQTVM 218 LSAKQLHTLS228 DTLWGPGDSR238 LQLNFRATQP248 LNGRVIEASF258 P |
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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 .Y0R or .Y0R2 or .Y0R3 or :3Y0R;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:142 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:210; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Methyl 4-[(4-chloranyl-2-cyclohexylsulfanyl-5-sulfamoyl-phenyl)carbonylamino]butanoate | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide | PDB:6QN2 | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [4] |
| PDB Sequence |
WRYGGDPPWP
17 RVSPACAGRF27 QSPVDIRPQL37 AAFSPALRPL47 ELLGFQLPPL54B PELRLRNNGH 64 SVQLTLPPGL77 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI 118 HVVHLSTAFA129 RVDEALGRPG139 GLAVLAAFLE149 EGPEENSAYE158 QLLSRLEEIA 168 EEGSETQVPG178 LDISALLPSD188 FSRYFQYEGS197 LTTPPCAQGV207 IWTVFNQTVM 217 LSAKQLHTLS227 DTLWGPGDSR240 LQLNFRATQP250 LNGRVIEASF260 P |
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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 .J92 or .J922 or .J923 or :3J92;style chemicals stick;color identity;select .A:5 or .A:60 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.075
ARG60
3.890
ASN62
3.530
HIS64
3.495
GLN67
3.163
GLN92
3.026
HIS94
3.180
HIS96
3.351
GLU106
3.964
HIS119
3.169
VAL121
3.733
VAL131
3.559
|
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| Ligand Name: 4-chloranyl-~{N}-(3-oxidanylpropyl)-2-phenylsulfanyl-5-sulfamoyl-benzamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide | PDB:6QN5 | ||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | Yes | [4] |
| PDB Sequence |
WRYGGDPPWP
17 RVSPACAGRF27 QSPVDIRPQL37 AAFSPALRPL47 ELLGFQLPPL54B PELRLRNNGH 64 SVQLTLPPGL77 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI 118 HVVHLSTAFA129 RVDEALGRPG139 GLAVLAAFLE149 EGPEENSAYE158 QLLSRLEEIA 168 EEGSETQVPG178 LDISALLPSD188 FSRYFQYEGS197 LTTPPCAQGV207 IWTVFNQTVM 217 LSAKQLHTLS227 DTLWGPGDSR236 LQLNFRATQP246 LNGRVIEASF256 P |
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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 .J8N or .J8N2 or .J8N3 or :3J8N;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; 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: Methyl 2-chloranyl-4-cyclohexylsulfanyl-5-sulfamoyl-benzoate | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | PDB:7POM | ||||
| Method | X-ray diffraction | Resolution | 1.98 Å | Mutation | Yes | [5] |
| PDB Sequence |
WRYGGDPPWP
17 RVSPACAGRF27 QSPVDIRPQL37 AAFSPALRPL47 ELLGFQLPPL54B PELRLRNNGH 64 SVQLTLPPGL77 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI 118 HVVHLSTAFA129 RVDEALGRPG139 GLAVLAAFLE149 EGPEENSAYE158 QLLSRLEEIA 168 EEGSETQVPG178 LDISALLPSD188 FSRYFQYEGS197 LTTPPCAQGV207 IWTVFQQTVM 217 LSAKQLHTLS227 DTLWGPGDSR240 LQLNFRATQP250 LNGRVIEASF260 P |
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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 .7VZ or .7VZ2 or .7VZ3 or :37VZ;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:92 or .A:94 or .A:95 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:202 or .A:209 or .A:244; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.965
TYR7
3.337
ASN62
3.696
HIS64
3.216
SER65
3.330
GLN67
3.327
GLN92
3.711
HIS94
3.070
LEU95
4.786
HIS96
3.199
GLU106
3.696
HIS119
3.203
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| Ligand Name: 5-[1-(4-Methoxyphenyl)-1,2,3-Triazol-4-Yl]thiophene-2-Sulfonamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with 5-(1-(4-Methoxyphenyl)-1H-1,2,3-triazol-4-yl)thiophene-2- sulfonamide | PDB:5FL5 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [3] |
| PDB Sequence |
WRYGGDPPWP
18 RVSPACAGRF28 QSPVDIRPQL38 AAFSPALRPL48 ELLGFQLPPL58 PELRLRNNGH 68 SVQLTLPPGL78 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI 118 HVVHLSTAFA128 RVDEALGRPG138 GLAVLAAFLE148 EGPEENSAYE158 QLLSRLEEIA 168 EEGSETQVPG178 LDISALLPSD188 FSRYFQYEGS198 LTTPPCAQGV208 IWTVFNQTVM 218 LSAKQLHTLS228 DTLWGPGDSR238 LQLNFRATQP248 LNGRVIEASF258 P |
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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 .82E or .82E2 or .82E3 or :382E;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:130 or .A:131 or .A:134 or .A:142 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:203 or .A:210; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Naphthalene-2-sulfonamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | PDB:6TL6 | ||||
| Method | X-ray diffraction | Resolution | 2.15 Å | Mutation | Yes | [6] |
| PDB Sequence |
WRYGGDPPWP
17 RVSPACAGRF27 QSPVDIRPQL37 AAFSPALRPL47 ELLGFQLPPL54B PELRLRNNGH 64 SVQLTLPPGL77 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI 118 HVVHLSTAFA129 RVDEALGRPG139 GLAVLAAFLE149 EGPEENSAYE158 QLLSRLEEIA 168 EEGSETQVPG178 LDISALLPSD188 FSRYFQYEGS197 LTTPPCAQGV207 IWTVFQQTVM 217 LSAKQLHTLS227 DTLWGPGDSR240 LQLNFRATQP250 LNGRVIEASF260 P |
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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 .MUE or .MUE2 or .MUE3 or :3MUE;style chemicals stick;color identity;select .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 3,5-Diphenylbenzenesulfonamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | PDB:6TL5 | ||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | Yes | [7] |
| PDB Sequence |
WRYGGDPPWP
17 RVSPACAGRF27 QSPVDIRPQL37 AAFSPALRPL47 ELLGFQLPPL54B PELRLRNNGH 64 SVQLTLPPGL77 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI 118 HVVHLSTAFA129 RVDEALGRPG139 GLAVLAAFLE149 EGPEENSAYE158 QLLSRLEEIA 168 EEGSETQVPG178 LDISALLPSD188 FSRYFQYEGS197 LTTPPCAQGV207 IWTVFQQTVM 217 LSAKQLHTLS227 DTLWGPGDSR240 LQLNFRATQP250 LNGRVIEASF260 P |
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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 .MKQ or .MKQ2 or .MKQ3 or :3MKQ;style chemicals stick;color identity;select .A:5 or .A:7 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
4.325
TYR7
4.479
ASN62
2.747
HIS64
3.718
SER65
3.342
GLN67
4.218
LEU91
4.151
GLN92
3.777
HIS94
3.099
HIS96
3.514
GLU106
3.824
|
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| Ligand Name: N-butyl-4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with benzenesulfonamide | PDB:6QN6 | ||||
| Method | X-ray diffraction | Resolution | 2.25 Å | Mutation | Yes | [4] |
| PDB Sequence |
WRYGGDPPWP
17 RVSPACAGRF27 QSPVDIRPQL37 AAFSPALRPL47 ELLGFQLPPL54B PELRLRNNGH 64 SVQLTLPPGL77 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI 118 HVVHLSTAFA129 RVDEALGRPG139 GLAVLAAFLE149 EGPEENSAYE158 QLLSRLEEIA 168 EEGSETQVPG178 LDISALLPSD188 FSRYFQYEGS197 LTTPPCAQGV207 IWTVFNQTVM 217 LSAKQLHTLS227 DTLWGPGDSR240 LQLNFRATQP250 LNGRVIEASF260 P |
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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 .J8Q or .J8Q2 or .J8Q3 or :3J8Q;style chemicals stick;color identity;select .A:5 or .A:62 or .A:64 or .A:67 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:197 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:207 or .A:209; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP5
3.924
ASN62
4.522
HIS64
4.212
GLN67
3.389
GLN92
3.245
HIS94
3.342
HIS96
3.490
GLU106
3.816
HIS119
3.357
VAL121
3.784
VAL131
4.129
|
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| Ligand Name: 4-[2-[3-(Cyclododecylamino)-2,5,6-trifluoro-4-sulfamoylphenyl]sulfanylethyl]benzoic acid | Ligand Info | |||||
| Structure Description | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | PDB:6G98 | ||||
| Method | X-ray diffraction | Resolution | 2.47 Å | Mutation | Yes | [2] |
| PDB Sequence |
RVSPACAGRF
27 QSPVDIRPQL37 AAFSPALRPL47 ELLGFQLPPL54B PELRLRNNGH64 SVQLTLPPGL 77 EMALGPGREY88 RALQLHLHWG98 AAGRPGSEHT108 VEGHRFPAEI118 HVVHLSTAFA 129 RVDEALGRPG139 GLAVLAAFLE149 EGPEENSAYE158 QLLSRLEEIA168 EEGSETQVPG 178 LDISALLPSD188 FSRYFQYEGS197 LTTPPCAQGV207 IWTVFNQTVM217 LSAKQLHTLS 227 DTLWGPGDSR240 LQLNFRATQP250 LNGRVIEASF260 P
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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 .ER5 or .ER52 or .ER53 or :3ER5;style chemicals stick;color identity;select .A:60 or .A:62 or .A:64 or .A:65 or .A:67 or .A:91 or .A:92 or .A:94 or .A:96 or .A:106 or .A:119 or .A:121 or .A:131 or .A:135 or .A:141 or .A:143 or .A:198 or .A:199 or .A:200 or .A:201 or .A:202 or .A:209; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ARG60
3.329
ASN62
3.348
HIS64
3.710
SER65
3.723
GLN67
3.504
LEU91
4.385
GLN92
3.098
HIS94
3.157
HIS96
3.353
GLU106
4.016
HIS119
3.430
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of the catalytic domain of the tumor-associated human carbonic anhydrase IX. Proc Natl Acad Sci U S A. 2009 Sep 22;106(38):16233-8. | ||||
| REF 2 | Novel fluorinated carbonic anhydrase IX inhibitors reduce hypoxia-induced acidification and clonogenic survival of cancer cells. Oncotarget. 2018 Jun 1;9(42):26800-26816. | ||||
| REF 3 | Efficient Expression and Crystallization System of Cancer-Associated Carbonic Anhydrase Isoform IX. J Med Chem. 2015 Nov 25;58(22):9004-9. | ||||
| REF 4 | Halogenated and di-substituted benzenesulfonamides as selective inhibitors of carbonic anhydrase isoforms. Eur J Med Chem. 2020 Jan 1;185:111825. | ||||
| REF 5 | Methyl 2-Halo-4-Substituted-5-Sulfamoyl-Benzoates as High Affinity and Selective Inhibitors of Carbonic Anhydrase IX. Int J Mol Sci. 2021 Dec 23;23(1):130. | ||||
| REF 6 | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | ||||
| REF 7 | Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide | ||||
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