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TargetKynurenine 3-monooxygenase
LigandBDBM50266001
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1700449
IC50 3.2±n/a nM
Citation Walker ALAncellin NBeaufils BBergeal MBinnie MBouillot AClapham DDenis AHaslam CPHolmes DSHutchinson JPLiddle JMcBride AMirguet OMowat CGRowland PTiberghien NTrottet LUings IWebster SPZheng XMole 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
More Info.:Get all data from this article,  Assay Method
 
Kynurenine 3-monooxygenase
Name:Kynurenine 3-monooxygenase
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:55831.03
Organism:Homo sapiens (Human)
Description:ChEMBL_1487479
Residue:486
Sequence:
MDSSVIQRKKVAVIGGGLVGSLQACFLAKRNFQIDVYEAREDTRVATFTRGRSINLALSH
RGRQALKAVGLEDQIVSQGIPMRARMIHSLSGKKSAIPYGTKSQYILSVSRENLNKDLLT
AAEKYPNVKMHFNHRLLKCNPEEGMITVLGSDKVPKDVTCDLIVGCDGAYSTVRSHLMKK
PRFDYSQQYIPHGYMELTIPPKNGDYAMEPNYLHIWPRNTFMMIALPNMNKSFTCTLFMP
FEEFEKLLTSNDVVDFFQKYFPDAIPLIGEKLLVQDFFLLPAQPMISVKCSSFHFKSHCV
LLGDAAHAIVPFFGQGMNAGFEDCLVFDELMDKFSNDLSLCLPVFSRLRIPDDHAISDLS
MYNYIEMRAHVNSSWFIFQKNMERFLHAIMPSTFIPLYTMVTFSRIRYHEAVQRWHWQKK
VINKGLFFLGSLIAISSTYLLIHYMSPRSFLRLRRPWNWIAHFRNTTCFPAKAVDSLEQI
SNLISR
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  Blast E-value cutoff:
BDBM50266001
n/a
NameBDBM50266001
Synonyms:CHEMBL4071379
TypeSmall organic molecule
Emp. Form.C21H25Cl2N3O7
Mol. Mass.502.345
SMILESNC(CO)(CO)CO.C[C@@H](Oc1cc2onc(CCC(O)=O)c2cc1Cl)c1ccc(Cl)cn1 |r|
Structure
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