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Target
Kynurenine 3-monooxygenase
Ligand
BDBM50083950
Substrate
n/a
Meas. Tech.
ChEMBL_1662733 (CHEMBL4012414)
IC50
900±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:
BDBM50083950
Synonyms:
(S)-(+)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric acid[(S)-(+)-m-nicotinylbenzoylalanine] | (S)-2-Amino-4-(3-nitro-phenyl)-4-oxo-butyric acid | CHEMBL22740
Type:
Small organic molecule
Emp. Form.:
C10H10N2O5
Mol. Mass.:
238.1968
SMILES:
N[C@@H](CC(=O)c1cccc(c1)[N+]([O-])=O)C(O)=O
Structure:
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