Ligand
Ligand Name:   [[2-chloranyl-4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methylboronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB37 PubChem:   60182330
Synonym(s):  
  •   [({[2-chloro-4-(1h-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid
  • 4e3m
  • schembl14861355
  • q27451254
show 3 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OB(O)CNS(=O)(=O)c1ccc(cc1Cl)-c1nnn[nH]1
Standard InChI:   InChI=1S/C8H9BClN5O4S/c10-6-3-5(8-12-14-15-13-8)1-2-7(6)20(18,19)11-4-9(16)17/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) 4E3M 0ND Ki : 0.2 nM PDBBind SHOW