Reaction Details Report a problem with these data
Target
Kynurenine 3-monooxygenase
Ligand
BDBM50206571
Substrate
n/a
Meas. Tech.
ChEBML_1629193
IC50
60±n/a nM
Citation
 Amin, SA; Adhikari, N; Jha, T; Gayen, S First molecular modeling report on novel arylpyrimidine kynurenine monooxygenase inhibitors through multi-QSAR analysis against Huntington's disease: A proposal to chemists! Bioorg Med Chem Lett 26:5712-5718 (2016) [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:
BDBM50206571
Synonyms:
CHEMBL3912403
Type:
Small organic molecule
Emp. Form.:
C13H12N2O3
Mol. Mass.:
244.246
SMILES:
COc1cc(ccc1C)-c1ccnc(n1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: