Reaction Details Report a problem with these data
Target
Kynurenine 3-monooxygenase
Ligand
BDBM50072136
Substrate
n/a
Meas. Tech.
ChEMBL_1467938 (CHEMBL3413142)
IC50
1.2±n/a nM
Citation
 Toledo-Sherman, LM; Prime, ME; Mrzljak, L; Beconi, MG; Beresford, A; Brookfield, FA; Brown, CJ; Cardaun, I; Courtney, SM; Dijkman, U; Hamelin-Flegg, E; Johnson, PD; Kempf, V; Lyons, K; Matthews, K; Mitchell, WL; O'Connell, C; Pena, P; Powell, K; Rassoulpour, A; Reed, L; Reindl, W; Selvaratnam, S; Friley, WW; Weddell, DA; Went, NE; Wheelan, P; Winkler, C; Winkler, D; Wityak, J; Yarnold, CJ; Yates, D; Munoz-Sanjuan, I; Dominguez, C Development of a series of aryl pyrimidine kynurenine monooxygenase inhibitors as potential therapeutic agents for the treatment of Huntington's disease. J Med Chem 58:1159-83 (2015) [PubMed]  Article 
Target
Name:
Kynurenine 3-monooxygenase
Synonyms:
KMO | KMO_HUMAN
Type:
PROTEIN
Mol. Mass.:
55831.03
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1487479
Residue:
486
Sequence:
MDSSVIQRKKVAVIGGGLVGSLQACFLAKRNFQIDVYEAREDTRVATFTRGRSINLALSHRGRQALKAVGLEDQIVSQGIPMRARMIHSLSGKKSAIPYGTKSQYILSVSRENLNKDLLTAAEKYPNVKMHFNHRLLKCNPEEGMITVLGSDKVPKDVTCDLIVGCDGAYSTVRSHLMKKPRFDYSQQYIPHGYMELTIPPKNGDYAMEPNYLHIWPRNTFMMIALPNMNKSFTCTLFMPFEEFEKLLTSNDVVDFFQKYFPDAIPLIGEKLLVQDFFLLPAQPMISVKCSSFHFKSHCVLLGDAAHAIVPFFGQGMNAGFEDCLVFDELMDKFSNDLSLCLPVFSRLRIPDDHAISDLSMYNYIEMRAHVNSSWFIFQKNMERFLHAIMPSTFIPLYTMVTFSRIRYHEAVQRWHWQKKVINKGLFFLGSLIAISSTYLLIHYMSPRSFLRLRRPWNWIAHFRNTTCFPAKAVDSLEQISNLISR
  
Inhibitor
Name:
BDBM50072136
Synonyms:
CHEMBL3407920
Type:
Small organic molecule
Emp. Form.:
C12H9ClN2O3
Mol. Mass.:
264.664
SMILES:
COc1ccc(cc1Cl)-c1cc(ncn1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: