Ligand |
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Ligand Name: [({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB36 | PubChem: 60182328 | |
Synonym(s):
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DrugBank: - | ChEMBL: - | |
Canonical SMILES: OB(O)CNS(=O)(=O)c1ccc(-c2nnn[nH]2)c(Cl)c1 | ||
Standard InChI: InChI=1S/C8H9BClN5O4S/c10-7-3-5(20(18,19)11-4-9(16)17)1-2-6(7)8-12-14-15-13-8/h1-3,11,16-17H,4H2,(H,12,13,14,15) | ||
Molecular Formula: C8H9BClN5O4S | Mol. Weight: 317.0157 | logP: -1.1896 |
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) | 4E3L | 0NB | Ki : 3 nM | PDBBind | SHOW |