Ligand
Ligand Name:   (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB569 PubChem:   5287796
Synonym(s):  
  •   db07466
  • q27096686
  • (r)-3-(2-borono-2-(2-phenylacetamido)ethyl)benzoic acid
  • 3-{(2r)-2-(dihydroxyboranyl)-2-[(phenylacetyl)amino]ethyl}benzoic acid
  • 286940-17-8
show 4 synonym(s)
DrugBank:   DB07466 ChEMBL:   CHEMBL1231369
Canonical SMILES:   OB(O)[C@H](Cc1cccc(c1)C(O)=O)NC(=O)Cc1ccccc1
Standard InChI:   InChI=1S/C17H18BNO5/c20-16(11-12-5-2-1-3-6-12)19-15(18(23)24)10-13-7-4-8-14(9-13)17(21)22/h1-9,15,23-24H,10-11H2,(H,19,20)(H,21,22)/t15-/m0/s1
Molecular Formula:   C17H18BNO5 Mol. Weight:   327.1278 logP:   0.6668
HBD:   4 HBA:   4
#Rotatable Bonds:   7 TPSA:   106.86

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Beta-lactamase TEM P62593 (BLAT_ECOLX) Escherichia coli 1ERO BJP Ki : 5.9 nM PDBBind SHOW