Structure of PDB 5wad Chain C Binding Site BS01 |
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| Ligand ID | QQZ |
| InChI | InChI=1S/C7H10BN6O7PS/c15-8(21-22(16,17)18)4-10-23(19,20)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15H,4H2,(H2,16,17,18)(H,11,12,13,14) |
| InChIKey | NHSMXLLDAOLTTP-UHFFFAOYSA-N |
| SMILES | | Software | SMILES |
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| CACTVS 3.385 | OB(CN[S](=O)(=O)c1ccc(nc1)c2[nH]nnn2)O[P](O)(O)=O | | OpenEye OEToolkits 2.0.6 | B(CNS(=O)(=O)c1ccc(nc1)c2[nH]nnn2)(O)OP(=O)(O)O |
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| Formula | C7 H10 B N6 O7 P S |
| Name | phosphonooxy-[[[6-(1~{H}-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]sulfonylamino]methyl]borinic acid |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 5wad Chain C Residue 401
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