Structure of PDB 8s3b Chain C Binding Site BS01 |
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Ligand ID | A1H40 |
InChI | InChI=1S/C8H6N4O2/c13-8(14)6-3-1-2-5(4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12) |
InChIKey | MIERACSHCALJOM-UHFFFAOYSA-N |
SMILES | Software | SMILES |
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CACTVS 3.385 | OC(=O)c1cccc(c1)c2[nH]nnn2 | OpenEye OEToolkits 2.0.7 | c1cc(cc(c1)C(=O)O)c2[nH]nnn2 |
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Formula | C8 H6 N4 O2 |
Name | 3-(1~{H}-1,2,3,4-tetrazol-5-yl)benzoic acid |
ChEMBL | |
DrugBank | |
ZINC |
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PDB chain | 8s3b Chain C Residue 501
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