Structure of PDB 6dgl Chain B Binding Site BS01 |
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| Ligand ID | GEV |
| InChI | InChI=1S/C23H18N2O4S/c1-14-18(24-22(29-14)17-5-3-2-4-6-17)11-12-19(26)16-9-7-15(8-10-16)13-20-21(27)25-23(28)30-20/h2-10,13H,11-12H2,1H3,(H,25,27,28) |
| InChIKey | DAVUFXMQAAAHHE-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.6 | Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C4C(=O)NC(=O)S4 | | ACDLabs 12.01 | c4ccc(c3nc(CCC(c2ccc(\C=C1\C(NC(=O)S1)=O)cc2)=O)c(C)o3)cc4 | | CACTVS 3.385 | Cc1oc(nc1CCC(=O)c2ccc(cc2)C=C3SC(=O)NC3=O)c4ccccc4 | | CACTVS 3.385 | Cc1oc(nc1CCC(=O)c2ccc(cc2)\C=C\3SC(=O)NC\3=O)c4ccccc4 |
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| Formula | C23 H18 N2 O4 S |
| Name | (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione;
Darglitazone |
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| PDB chain | 6dgl Chain B Residue 501
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