Ligand
Ligand Name:   {[(2,6-difluorophenyl)formamido]methyl}boronic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1499 PubChem:   70696416
Synonym(s):  
  •   (2,6-difluorobenzamido)methylboronic acid
  • chembl2035285
  • 1322581-14-5
  • 2y2k
  • bdbm50385262
show 4 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL2035285
Canonical SMILES:   OB(O)CNC(=O)c1c(F)cccc1F
Standard InChI:   InChI=1S/C8H8BF2NO3/c10-5-2-1-3-6(11)7(5)8(13)12-4-9(14)15/h1-3,14-15H,4H2,(H,12,13)
Molecular Formula:   C8H8BF2NO3 Mol. Weight:   215.05653 logP:   -0.2934
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) 2Y2K ZA5 IC50 : 6900 nM PDBBind SHOW