Ligand
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):  
  •   4e3k
  • chembl4094945
  • schembl14873500
  • q27451251
show 3 synonym(s)
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