Ligand
Ligand Name:   (3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1003 PubChem:   3571907
Synonym(s):  
  •   850567-27-0
  • 3-(furfurylaminocarbonyl)phenylboronic acid
  • (3-((furan-2-ylmethyl)carbamoyl)phenyl)boronic acid
  • [3-(furan-2-ylmethylcarbamoyl)phenyl]boronic acid
  • n-furfuryl 3-boronobenzamide
  • mfcd04115700
  • (3-((furan-2-ylmethyl)carbamoyl)-phenyl)boronic acid
  • {3-[(furan-2-ylmethyl)carbamoyl]phenyl}boronic acid
  • acmc-20aizh
  • 3-(furfurylamino carbonyl)phenylboronic acid
  • schembl1291842
  • dtxsid00393762
  • anw-75531
  • akos015839452
  • zinc169745654
  • ab20433
  • v8033
  • [3-(furfurylaminocarbonyl)phenyl]boronic acid
  • 3-(furan-2-ylmethylcarbamoyl)phenylboronic acid
  • b-5536
  • 3-(furfurylaminocarbonyl)phenylboronicacid
show 20 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OB(O)c1cccc(c1)C(=O)NCc2ccco2
Standard InChI:   InChI=1S/C12H12BNO4/c15-12(14-8-11-5-2-6-18-11)9-3-1-4-10(7-9)13(16)17/h1-7,16-17H,8H2,(H,14,15)
Molecular Formula:   C12H12BNO4 Mol. Weight:   245.08594 logP:   -0.1106
HBD:   3 HBA:   4
#Rotatable Bonds:   4 TPSA:   82.7

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 5TG7 JW3 Ki : 29800 nM PDBBind SHOW