Ligand
Ligand Name:   [[4-(1H-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methylboronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB38 PubChem:   71549453
Synonym(s):  
  •   chembl3613796
  • [({[4-(1h-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonyl}amino)methyl]boronic acid
  • 4e3n
  • schembl14873497
  • bdbm50274047
  • q27451256
show 5 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3613796
Canonical SMILES:   OB(O)CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1
Standard InChI:   InChI=1S/C9H9BF3N5O4S/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)23(21,22)14-4-10(19)20/h1-3,14,19-20H,4H2,(H,15,16,17,18)
Molecular Formula:   C9H9BF3N5O4S Mol. Weight:   351.04205 logP:   -0.8242
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) 4E3N 0NE Ki : 0.05 nM PDBBind SHOW