Structure of PDB 5ov5 Chain A Binding Site BS01 |
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| Ligand ID | DPM |
| InChI | InChI=1S/C20H24N2O8/c1-10-13(6-19(27)28)12(3-5-18(25)26)16(22-10)8-15-14(7-20(29)30)11(9-21-15)2-4-17(23)24/h9,21-22H,2-8H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30) |
| InChIKey | LCAXMKQKEYTFDM-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | Cc1[nH]c(Cc2[nH]cc(CCC(O)=O)c2CC(O)=O)c(CCC(O)=O)c1CC(O)=O | | OpenEye OEToolkits 1.7.6 | Cc1c(c(c([nH]1)Cc2c(c(c[nH]2)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O | | ACDLabs 12.01 | O=C(O)Cc1c(ncc1CCC(=O)O)Cc2c(c(c(n2)C)CC(=O)O)CCC(=O)O |
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| Formula | C20 H24 N2 O8 |
| Name | 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid;
DIPYRROMETHANE COFACTOR |
| ChEMBL | |
| DrugBank | DB04517 |
| ZINC | ZINC000015277485
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| PDB chain | 5ov5 Chain A Residue 401
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