Ligand
Ligand Name:   (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB1319 PubChem:   24873522
Synonym(s):  
  •   chembl429972
  • q27465406
  • (2e)-3-(3-{(r)-(dihydroxyboryl)[(2-thienylacetyl)amino]methyl}phenyl)acrylic acid
  • (2e)-3-(3-{(r)-(dihydroxyboranyl)[(thiophen-2-ylacetyl)amino]methyl}phenyl)prop-2-enoic acid
show 3 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL429972
Canonical SMILES:   OB(O)[C@@H](NC(=O)Cc1cccs1)c1cccc(\C=C\C(O)=O)c1
Standard InChI:   InChI=1S/C16H16BNO5S/c19-14(10-13-5-2-8-24-13)18-16(17(22)23)12-4-1-3-11(9-12)6-7-15(20)21/h1-9,16,22-23H,10H2,(H,18,19)(H,20,21)/b7-6+/t16-/m0/s1
Molecular Formula:   C16H16BNO5S Mol. Weight:   345.08423 logP:   1.2579
HBD:   4 HBA:   5
#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 P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 2RCX SM4 Ki : 1 nM PDBBind SHOW