Reaction Details Report a problem with these data
Target
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
Ligand
BDBM273076
Substrate
n/a
Meas. Tech.
KAT-II inhibitory assay
pH
8±n/a
IC50
7.00±n/a nM
Comments
extracted
Citation
 Okuyama, M; Fukunaga, K; Usui, K; Hayashi, N; Iijima, D; Horiuchi, H; Itagaki, N Bicyclic or tricyclic heterocyclic compound US Patent  US10065972 Publication Date 9/4/2018 
Target
Name:
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
Synonyms:
2-aminoadipate aminotransferase | 2-aminoadipate transaminase | AADAT | AADAT_HUMAN | Alpha-aminoadipate aminotransferase | KAT/AadAT | KAT2 | KYAT2 | Kynurenine aminotransferase II | Kynurenine aminotransferase II (KAT II) | Kynurenine--oxoglutarate aminotransferase II | Kynurenine--oxoglutarate transaminase 2 | Kynurenine--oxoglutarate transaminase II
Type:
Enzyme
Mol. Mass.:
47353.09
Organism:
Homo sapiens (Human)
Description:
Q8N5Z0
Residue:
425
Sequence:
MNYARFITAASAARNPSPIRTMTDILSRGPKSMISLAGGLPNPNMFPFKTAVITVENGKTIQFGEEMMKRALQYSPSAGIPELLSWLKQLQIKLHNPPTIHYPPSQGQMDLCVTSGSQQGLCKVFEMIINPGDNVLLDEPAYSGTLQSLHPLGCNIINVASDESGIVPDSLRDILSRWKPEDAKNPQKNTPKFLYTVPNGNNPTGNSLTSERKKEIYELARKYDFLIIEDDPYYFLQFNKFRVPTFLSMDVDGRVIRADSFSKIISSGLRIGFLTGPKPLIERVILHIQVSTLHPSTFNQLMISQLLHEWGEEGFMAHVDRVIDFYSNQKDAILAAADKWLTGLAEWHVPAAGMFLWIKVKGINDVKELIEEKAVKMGVLMLPGNAFYVDSSAPSPYLRASFSSASPEQMDVAFQVLAQLIKESL
  
Inhibitor
Name:
BDBM273076
Synonyms:
(R)-N-benzyl-1-[5-(2,6-difluorophenyl)-6-methyl-7-oxo-6,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide | US10065972, Example 204
Type:
Small organic molecule
Emp. Form.:
C24H21F2N5O2S
Mol. Mass.:
481.518
SMILES:
Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1c(F)cccc1F |r,wD:15.18,(6,-.08,;4.66,-.85,;4.66,-2.39,;3.33,-3.16,;1.99,-2.39,;.53,-2.87,;-.37,-1.62,;.53,-.37,;1.99,-.85,;3.33,-.08,;3.33,1.46,;-1.91,-1.62,;-2.82,-2.87,;-4.28,-2.39,;-4.28,-.85,;-2.82,-.37,;-2.42,1.11,;-.93,1.51,;-3.51,2.2,;-5,1.8,;-6.09,2.89,;-5.69,4.38,;-6.78,5.47,;-8.26,5.07,;-8.66,3.58,;-7.57,2.49,;6,-3.16,;6,-4.7,;4.66,-5.47,;7.33,-5.47,;8.66,-4.7,;8.66,-3.16,;7.33,-2.39,;8.1,-1.06,)|
Structure:
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