Reaction Details Report a problem with these data
Target
Kynurenine 3-monooxygenase
Ligand
BDBM50072083
Substrate
n/a
Meas. Tech.
ChEMBL_1662733 (CHEMBL4012414)
IC50
20±n/a nM
Citation
 Liddle, J; Beaufils, B; Binnie, M; Bouillot, A; Denis, AA; Hann, MM; Haslam, CP; Holmes, DS; Hutchinson, JP; Kranz, M; McBride, A; Mirguet, O; Mole, DJ; Mowat, CG; Pal, S; Rowland, P; Trottet, L; Uings, IJ; Walker, AL; Webster, SP The discovery of potent and selective kynurenine 3-monooxygenase inhibitors for the treatment of acute pancreatitis. Bioorg Med Chem Lett 27:2023-2028 (2017) [PubMed]  Article 
Target
Name:
Kynurenine 3-monooxygenase
Synonyms:
KMO_RAT | Kmo
Type:
PROTEIN
Mol. Mass.:
54371.88
Organism:
Rattus norvegicus
Description:
ChEMBL_1487468
Residue:
478
Sequence:
MASSDTEGKRVVVIGGGLVGALNACFLAKRNFQVDVYEAREDIRVANFMRGRSINLALSYRGRQALKAVGLEDQIVSKGVPMKARMIHSLSGKKSAIPYGNKSQYILSISREKLNKDLLTAVESYPNAKVHFGHKLSKCCPEEGILTMLGPNKVPRDITCDLIVGCDGAYSTVRAHLMKKPRFDYSQQYIPHGYMELTIPPKNGEYAMEPNCLHIWPRNAFMMIALPNMDKSFTCTLFMSFEEFEKLPTHSDVLDFFQKNFPDAIPLMGEQALMRDFFLLPAQPMISVKCSPFHLKSRCVLMGDAAHAIVPFFGQGMNAGFEDCLVFDELMDKFNNDLSVCLPEFSRFRIPDDHAISDLSMYNYIEMRAHVNSRWFLFQRLLDKFLHALMPSTFIPLYTMVAFTRIRYHEAVLRWHWQKKVINRGLFVLGSLVAIGSAYILVHHLSPRPLELLRSAWTGTSGHWNRSADISPRVPWSH
  
Inhibitor
Name:
BDBM50072083
Synonyms:
CHEMBL3407929
Type:
Small organic molecule
Emp. Form.:
C11H8Cl2O3
Mol. Mass.:
259.085
SMILES:
OC(=O)[C@H]1C[C@@H]1C(=O)c1ccc(Cl)c(Cl)c1 |r|
Structure:
Search PDB for entries with ligand similarity: