Structure of PDB 8cvn Chain B Binding Site BS02 |
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Ligand ID | SWL |
InChI | InChI=1S/C19H23N5OS3/c1-4-5-8-28(25)19-16(20)15-12(14-10-22-11(2)24(14)3)9-13(23-18(15)27-19)17-21-6-7-26-17/h6-7,9-10,25,28H,4-5,8,20H2,1-3H3 |
InChIKey | UNHFBUMWCMKPAQ-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | CCCC[SH](O)c1sc2nc(cc(c3cnc(C)n3C)c2c1N)c4sccn4 | OpenEye OEToolkits 2.0.7 | CCCC[S@H](c1c(c2c(cc(nc2s1)c3nccs3)c4cnc(n4C)C)N)O | OpenEye OEToolkits 2.0.7 | CCCCS(c1c(c2c(cc(nc2s1)c3nccs3)c4cnc(n4C)C)N)O | ACDLabs 12.01 | Cc1ncc(n1C)c2c4c(nc(c2)c3nccs3)sc(c4N)S(O)CCCC |
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Formula | C19 H23 N5 O S3 |
Name | 2-[butyl(oxidanyl)-$l^{3}-sulfanyl]-4-(2,3-dimethylimidazol-4-yl)-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 8cvn Chain B Residue 302
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Enzyme Commision number |
1.1.1.- 1.1.1.141: 15-hydroxyprostaglandin dehydrogenase (NAD(+)). 1.1.1.232: 15-hydroxyicosatetraenoate dehydrogenase. |
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