Ligand |
||
 | ||
| Ligand Name: phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid | ||
| Ligand Type: non-polymer | ||
| Ligand ID: COVPDB466 | PubChem: - | |
| Synonym(s): - | ||
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OB(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1)OP(O)(O)=O | ||
| Standard InChI: InChI=1S/C9H10BF3N5O7PS/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)27(23,24)14-4-10(19)25-26(20,21)22/h1-3,14,19H,4H2,(H2,20,21,22)(H,15,16,17,18) | ||
| Molecular Formula: C9H10BF3N5O7PS | Mol. Weight: 431.00836 | logP: -0.7072 |
| HBD: 5 | HBA: 8 | |
| #Rotatable Bonds: 7 | TPSA: 187.62 | |