Ligand
Ligand Name:   [({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB34 PubChem:   71549452
Synonym(s):  
  •   4e3j
  • chembl3613795
  • schembl14861465
  • zinc205326965
  • q27451247
show 4 synonym(s)
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