Ligand
Ligand Name:   PHENYLACETAMIDOMETHYL BORONIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB808 PubChem:   9920615
Synonym(s):  
  •   (2-phenylacetamido)methylboronic acid
  • 114640-50-5
  • acylglycineboronic acid, 6
  • chembl1275918
  • schembl14873552
  • bdbm39809
  • q27460379
show 6 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL1275918
Canonical SMILES:   OB(O)CNC(=O)Cc1ccccc1
Standard InChI:   InChI=1S/C9H12BNO3/c12-9(11-7-10(13)14)6-8-4-2-1-3-5-8/h1-5,13-14H,6-7H2,(H,11,12)
Molecular Formula:   C9H12BNO3 Mol. Weight:   193.09102 logP:   -0.6427
HBD:   3 HBA:   3
#Rotatable Bonds:   4 TPSA:   69.56

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
D-alanyl-D-alanine carboxypeptidase P39045 (DAC_ACTSP) Actinomadura sp. (strain R39) 3ZVW FP5 Ki : 125000 nM, IC50 : 320000 nM BindingDB SHOW