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Target
Kynurenine 3-monooxygenase
Ligand
BDBM50072103
Substrate
n/a
Meas. Tech.
ChEMBL_1629193 (CHEMBL3871819)
IC50
25±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:
BDBM50072103
Synonyms:
CHEMBL3407885
Type:
Small organic molecule
Emp. Form.:
C17H11Cl2N3O3S
Mol. Mass.:
408.259
SMILES:
Clc1ccc(cc1Cl)-c1cc(ncn1)C(=O)NS(=O)(=O)c1ccccc1
Structure:
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