Ligand
Ligand Name:   N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB657 PubChem:   2671
Synonym(s):  
  •   chembl320049
  • 448211-54-9
  • acylglycineboronic acid, 11
  • lp04
  • schembl12753869
  • dtxsid80274383
  • bdbm50115621
  • db02094
  • n-(dihydroxyborylmethyl)thiophene-2-acetamide
  • (2-(thiophen-2-yl)acetamido)methylboronic acid
  • [[2-(2-thienyl)acetyl]amino]methylboronic acid
  • ((2-(thiophen-2-yl)acetamido)methyl)boronic acid
  • {[(thiophen-2-ylacetyl)amino]methyl}boronic acid
  • n-dihydroxyboranylmethyl-2-thiophen-2-yl-acetamide
  • q27093166
show 14 synonym(s)
DrugBank:   DB02094 ChEMBL:   CHEMBL320049
Canonical SMILES:   OB(O)CNC(=O)Cc1cccs1
Standard InChI:   InChI=1S/C7H10BNO3S/c10-7(9-5-8(11)12)4-6-2-1-3-13-6/h1-3,11-12H,4-5H2,(H,9,10)
Molecular Formula:   C7H10BNO3S Mol. Weight:   199.04744 logP:   -0.5812
HBD:   3 HBA:   4
#Rotatable Bonds:   4 TPSA:   69.56

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) 1FSW CTB Ki : 320 nM PDBBind SHOW
Beta-lactamase P00811 (AMPC_ECOLI) Escherichia coli (strain K12) 1FSW CTB Ki : 320 nM BindingDB SHOW