Ligand
Ligand Name:   5-fluorolevulinic acid
Ligand Type:   non-polymer
Ligand ID:   COVPDB1055 PubChem:   131153
Synonym(s):  
  •   5-fluoro-4-oxopentanoic acid
  • 76385-49-4
  • unii-u7ag97n7xy
  • u7ag97n7xy
  • 1gzg
  • 5-fluoro-4-oxopentanoate
  • 5-fluoro-4-ketopentanoic acid
  • substrate analogue, 9
  • schembl1053778
  • bdbm82192
  • dtxsid40227219
  • pentanoic acid, 5-fluoro-4-oxo-
  • db02828
  • q27093783
show 13 synonym(s)
DrugBank:   DB02828 ChEMBL:   CHEMBL1233952
Canonical SMILES:   OC(=O)CCC(=O)CF
Standard InChI:   InChI=1S/C5H7FO3/c6-3-4(7)1-2-5(8)9/h1-3H2,(H,8,9)
Molecular Formula:   C5H7FO3 Mol. Weight:   134.03792 logP:   0.3898
HBD:   1 HBA:   2
#Rotatable Bonds:   4 TPSA:   54.37

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Delta-aminolevulinic acid dehydratase Q59643 (HEM2_PSEAE) Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) 1GZG LAF IC50 : 900000 nM PDBBind SHOW