Ligand
Ligand Name:   2-FLUOROBENZAMIDOMETHYLBORONIC ACID
Ligand Type:   non-polymer
Ligand ID:   COVPDB1498 PubChem:   70694336
Synonym(s):  
  •   chembl2035291
  • (2-fluorobenzylamido)methylboronic acid
  • 1322581-13-4
  • 2y2j
  • bdbm50385270
show 4 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL2035291
Canonical SMILES:   OB(O)CNC(=O)c1c(F)cccc1
Standard InChI:   InChI=1S/C8H9BFNO3/c10-7-4-2-1-3-6(7)8(12)11-5-9(13)14/h1-4,13-14H,5H2,(H,11,12)
Molecular Formula:   C8H9BFNO3 Mol. Weight:   197.06595 logP:   -0.4325
HBD:   3 HBA:   3
#Rotatable Bonds:   3 TPSA:   69.56

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
DD-transpeptidase Q7CRA4 (Q7CRA4_STRR6) Streptococcus pneumoniae (strain ATCC BAA-255 / R6) 2Y2J ZA4 IC50 : 16000 nM PDBBind SHOW