Structure of PDB 6bt6 Chain B Binding Site BS02 |
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Ligand ID | 3GK |
InChI | InChI=1S/C16H10F3N7O/c17-16(18,19)9-5-11(13-12(6-9)20-7-21-13)15(27)22-10-3-1-2-8(4-10)14-23-25-26-24-14/h1-7H,(H,20,21)(H,22,27)(H,23,24,25,26) |
InChIKey | MQJFWUUNKXRFOL-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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ACDLabs 12.01 | FC(F)(F)c1cc(c2ncnc2c1)C(=O)Nc3cccc(c3)c4nnnn4 | CACTVS 3.385 | FC(F)(F)c1cc2[nH]cnc2c(c1)C(=O)Nc3cccc(c3)c4n[nH]nn4 | OpenEye OEToolkits 1.9.2 | c1cc(cc(c1)NC(=O)c2cc(cc3c2nc[nH]3)C(F)(F)F)c4n[nH]nn4 |
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Formula | C16 H10 F3 N7 O |
Name | N-[3-(2H-tetrazol-5-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole-4-carboxamide |
ChEMBL | CHEMBL2031559 |
DrugBank | |
ZINC | ZINC000084654073
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PDB chain | 6bt6 Chain B Residue 302
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