Structure of PDB 9br7 Chain D Binding Site BS02 |
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| Ligand ID | A1ATL |
| InChI | InChI=1S/C22H21ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28) |
| InChIKey | ZEUXAIYYDDCIRX-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | CCCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(=O)O)Cl | | CACTVS 3.385 | CCCCc1nc(Cl)c(n1Cc2ccc(cc2)c3ccccc3c4[nH]nnn4)C(O)=O | | ACDLabs 12.01 | O=C(O)c1c(Cl)nc(CCCC)n1Cc1ccc(cc1)c1ccccc1c1nnn[NH]1 |
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| Formula | C22 H21 Cl N6 O2 |
| Name | losartan carboxylic acid;
2-butyl-4-chloro-1-{[(2'M)-2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1H-imidazole-5-carboxylic acid;
EXP3174;
E-3174 |
| ChEMBL | |
| DrugBank | |
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| PDB chain | 9br7 Chain D Residue 501
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