Ligand |
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Ligand Name: [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB34 | PubChem: 71549452 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL3613795 | |
Canonical SMILES: OB(O)CNS(=O)(=O)c1ccc(cc1)-c1nnn[nH]1 | ||
Standard InChI: InChI=1S/C8H10BN5O4S/c15-9(16)5-10-19(17,18)7-3-1-6(2-4-7)8-11-13-14-12-8/h1-4,10,15-16H,5H2,(H,11,12,13,14) | ||
Molecular Formula: C8H10BN5O4S | Mol. Weight: 283.05466 | logP: -1.843 |
HBD: 4 | HBA: 7 | |
#Rotatable Bonds: 5 | TPSA: 141.09 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | HET Code | Binding Affinity | Binding Database | Complex Card |
Beta-lactamase | P00811 (AMPC_ECOLI) | Escherichia coli (strain K12) | 4E3J | 0N4 | Ki : 1.2 nM | PDBBind | SHOW |