Reaction Details Report a problem with these data
Target
Kynurenine--oxoglutarate transaminase 1
Ligand
BDBM50426340
Substrate
n/a
Meas. Tech.
ChEMBL_939755 (CHEMBL2329108)
IC50
>36000±n/a nM
Citation
 Tuttle, JB; Anderson, M; Bechle, BM; Campbell, BM; Chang, C; Dounay, AB; Evrard, E; Fonseca, KR; Gan, X; Ghosh, S; Horner, W; James, LC; Kim, JY; McAllister, LA; Pandit, J; Parikh, VD; Rago, BJ; Salafia, MA; Strick, CA; Zawadzke, LE; Verhoest, PR Structure-Based Design of Irreversible Human KAT II Inhibitors: Discovery of New Potency-Enhancing Interactions. ACS Med Chem Lett 4:37-40 (2013) [PubMed]  Article 
Target
Name:
Kynurenine--oxoglutarate transaminase 1
Synonyms:
CCBL1 | Cysteine-S-conjugate beta-lyase | Glutamine--phenylpyruvate transaminase | KAT1_HUMAN | KYAT1 | Kynurenine Aminotransferase 1/Glutamine Transaminase K | Kynurenine--oxoglutarate transaminase 1
Type:
Aminotransferase; Lyase
Mol. Mass.:
47874.00
Organism:
Homo sapiens (Human)
Description:
Recombinant hKAT-1 was expressed and purified from Sf9 insect cells.
Residue:
422
Sequence:
MAKQLQARRLDGIDYNPWVEFVKLASEHDVVNLGQGFPDFPPPDFAVEAFQHAVSGDFMLNQYTKTFGYPPLTKILASFFGELLGQEIDPLRNVLVTVGGYGALFTAFQALVDEGDEVIIIEPFFDCYEPMTMMAGGRPVFVSLKPGPIQNGELGSSSNWQLDPMELAGKFTSRTKALVLNTPNNPLGKVFSREELELVASLCQQHDVVCITDEVYQWMVYDGHQHISIASLPGMWERTLTIGSAGKTFSATGWKVGWVLGPDHIMKHLRTVHQNSVFHCPTQSQAAVAESFEREQLLFRQPSSYFVQFPQAMQRCRDHMIRSLQSVGLKPIIPQGSYFLITDISDFKRKMPDLPGAVDEPYDRRFVKWMIKNKGLVAIPVSIFYSVPHQKHFDHYIRFCFVKDEATLQAMDEKLRKWKVEL
  
Inhibitor
Name:
BDBM50426340
Synonyms:
CHEMBL2321943
Type:
Small organic molecule
Emp. Form.:
C16H16N2O4
Mol. Mass.:
300.3092
SMILES:
COc1cc2N(O)C(=O)[C@@H](N)Cc2cc1Oc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: