Reaction Details Report a problem with these data
Target
Kynurenine 3-monooxygenase
Ligand
BDBM50266041
Substrate
n/a
Meas. Tech.
ChEMBL_1700498 (CHEMBL4051480)
IC50
3.2±n/a nM
Citation
 Walker, AL; Ancellin, N; Beaufils, B; Bergeal, M; Binnie, M; Bouillot, A; Clapham, D; Denis, A; Haslam, CP; Holmes, DS; Hutchinson, JP; Liddle, J; McBride, A; Mirguet, O; Mowat, CG; Rowland, P; Tiberghien, N; Trottet, L; Uings, I; Webster, SP; Zheng, X; Mole, DJ Development of a Series of Kynurenine 3-Monooxygenase Inhibitors Leading to a Clinical Candidate for the Treatment of Acute Pancreatitis. J Med Chem 60:3383-3404 (2017) [PubMed]  Article 
Target
Name:
Kynurenine 3-monooxygenase
Synonyms:
1.14.13.9 | KMO_PSEFL | Kynurenine 3-hydroxylase | Kynurenine 3-monooxygenase | PfKMO | kmo | qbsG
Type:
PROTEIN
Mol. Mass.:
50713.22
Organism:
Pseudomonas fluorescens
Description:
ChEMBL_117445
Residue:
461
Sequence:
MTATDNARQVTIIGAGLAGTLVARLLARNGWQVNLFERRPDPRIETGARGRSINLALAERGAHALRLAGLEREVLAEAVMMRGRMVHVPGTPPNLQPYGRDDSEVIWSINRDRLNRILLDGAEAAGASIHFNLGLDSVDFARQRLTLSNVSGERLEKRFHLLIGADGCNSAVRQAMASVVDLGEHLETQPHGYKELQITPEASAQFNLEPNALHIWPHGDYMCIALPNLDRSFTVTLFLHHQSPAAQPASPCFAQLVDGHAARRFFQRQFPDLSPMLDSLEQDFEHHPTGKLATLRLTTWHVGGQAVLLGDAAHPMVPFHGQGMNCALEDAVALAEHLQSAADNASALAAFTAQRQPDALAIQAMALENYVEMSSKVASPTYLLERELGQIMAQRQPTRFIPRYSMVTFSRLPYAQAMARGQIQEQLLKFAVANHSDLTSINLDAVEHEVTRCLPPLSHLC
  
Inhibitor
Name:
BDBM50266041
Synonyms:
CHEMBL4070212
Type:
Small organic molecule
Emp. Form.:
C17H15ClN2O5
Mol. Mass.:
362.764
SMILES:
C[C@@H](Oc1cc2oc(=O)n(CCC(O)=O)c2cc1Cl)c1ccccn1 |r|
Structure:
Search PDB for entries with ligand similarity: