Structure of PDB 4yvp Chain B Binding Site BS02 |
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| Ligand ID | GBM |
| InChI | InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) |
| InChIKey | ZNNLBTZKUZBEKO-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | O=C(NC1CCCCC1)NS(=O)(=O)c3ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc3 | | CACTVS 3.385 | COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3 | | OpenEye OEToolkits 1.9.2 | COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl |
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| Formula | C23 H28 Cl N3 O5 S |
| Name | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide;
Glibenclamide;
Glyburide |
| ChEMBL | CHEMBL472 |
| DrugBank | DB01016 |
| ZINC | ZINC000000537805
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| PDB chain | 4yvp Chain B Residue 402
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| Catalytic site (original residue number in PDB) |
D50 Y55 K84 H117 |
| Catalytic site (residue number reindexed from 1) |
D45 Y50 K79 H112 |
| Enzyme Commision number |
1.1.1.-
1.1.1.112: indanol dehydrogenase.
1.1.1.149: 20alpha-hydroxysteroid dehydrogenase.
1.1.1.209: 3(or 17)alpha-hydroxysteroid dehydrogenase.
1.1.1.210: 3beta-(or 20alpha)-hydroxysteroid dehydrogenase.
1.1.1.357: 3alpha-hydroxysteroid 3-dehydrogenase.
1.1.1.51: 3(or 17)beta-hydroxysteroid dehydrogenase.
1.1.1.53: 3alpha(or 20beta)-hydroxysteroid dehydrogenase.
1.1.1.62: 17beta-estradiol 17-dehydrogenase.
1.3.1.20: trans-1,2-dihydrobenzene-1,2-diol dehydrogenase. |
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Molecular Function |
| GO:0004032 |
aldose reductase (NADPH) activity |
| GO:0004033 |
aldo-keto reductase (NADPH) activity |
| GO:0004303 |
estradiol 17-beta-dehydrogenase [NAD(P)+] activity |
| GO:0005515 |
protein binding |
| GO:0016491 |
oxidoreductase activity |
| GO:0016655 |
oxidoreductase activity, acting on NAD(P)H, quinone or similar compound as acceptor |
| GO:0030283 |
testosterone dehydrogenase [NAD(P)+] activity |
| GO:0031406 |
carboxylic acid binding |
| GO:0032052 |
bile acid binding |
| GO:0033703 |
3beta-hydroxy-5beta-steroid dehydrogenase activity |
| GO:0033764 |
steroid dehydrogenase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| GO:0047006 |
17-alpha,20-alpha-dihydroxypregn-4-en-3-one dehydrogenase activity |
| GO:0047023 |
androsterone dehydrogenase activity |
| GO:0047024 |
5alpha-androstane-3beta,17beta-diol dehydrogenase activity |
| GO:0047042 |
androsterone dehydrogenase (B-specific) activity |
| GO:0047044 |
androstan-3-alpha,17-beta-diol dehydrogenase activity |
| GO:0047045 |
testosterone 17-beta-dehydrogenase (NADP+) activity |
| GO:0047086 |
ketosteroid monooxygenase activity |
| GO:0047115 |
trans-1,2-dihydrobenzene-1,2-diol dehydrogenase activity |
| GO:0047718 |
indanol dehydrogenase activity |
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