Ligand
Ligand Name:   {4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1004 PubChem:   44886919
Synonym(s):  
  •   871329-68-9
  • 4-(azetidin-1-ylsulfonyl)phenylboronic acid
  • (4-(azetidin-1-ylsulfonyl)phenyl)boronic acid
  • 4-(1-azetidinylsulfonyl)phenylboronic acid
  • mfcd07363756
  • [4-(azetidine-1-sulfonyl)phenyl]boronic acid
  • [4-(azetidin-1-ylsulfonyl)phenyl]boronic acid
  • acmc-209qgc
  • boronic acid,b-[4-(1-azetidinylsulfonyl)phenyl]-
  • schembl289460
  • dtxsid10661207
  • anw-38554
  • akos015854059
  • zinc169745098
  • ab30701
  • db-114203
  • ft-0687799
  • x2612
  • b-4343
show 18 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OB(O)c1ccc(cc1)S(=O)(=O)N2CCC2
Standard InChI:   InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)16(14,15)11-6-1-7-11/h2-5,12-13H,1,6-7H2
Molecular Formula:   C9H12BNO4S Mol. Weight:   241.05801 logP:   -1.2392
HBD:   2 HBA:   4
#Rotatable Bonds:   3 TPSA:   77.84

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase Q8RLA6 (Q8RLA6_ACIBA) Acinetobacter baumannii 5TG5 JW8 Ki : 97300 nM PDBBind SHOW