Ligand |
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Ligand Name: [({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB35 | PubChem: 71519580 | |
Synonym(s):
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DrugBank: - | ChEMBL: CHEMBL4094945 | |
Canonical SMILES: OB(O)CNS(=O)(=O)c1ccc(nc1)-c1nnn[nH]1 | ||
Standard InChI: InChI=1S/C7H9BN6O4S/c15-8(16)4-10-19(17,18)5-1-2-6(9-3-5)7-11-13-14-12-7/h1-3,10,15-16H,4H2,(H,11,12,13,14) | ||
Molecular Formula: C7H9BN6O4S | Mol. Weight: 284.0499 | logP: -2.448 |
HBD: 4 | HBA: 8 | |
#Rotatable Bonds: 5 | TPSA: 153.98 |
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) | 4E3K | 0NA | Ki : 0.8 nM | PDBBind | SHOW |