Reaction Details Report a problem with these data
Target
Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial
Ligand
BDBM273075
Substrate
n/a
Meas. Tech.
KAT-II inhibitory assay
pH
8±n/a
IC50
14.0±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:
BDBM273075
Synonyms:
(R)-N-benzyl-1-[6-methyl-7-oxo-5-(2,4,6-trifluorophenyl)-6,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide | US10065972, Example 203
Type:
Small organic molecule
Emp. Form.:
C24H20F3N5O2S
Mol. Mass.:
499.508
SMILES:
Cn1c(nc2sc(nc2c1=O)N1CCC[C@@H]1C(=O)NCc1ccccc1)-c1c(F)cc(F)cc1F |r,wD:15.18,(5.33,-.08,;4,-.85,;4,-2.39,;2.66,-3.16,;1.33,-2.39,;-.14,-2.87,;-1.04,-1.62,;-.14,-.37,;1.33,-.85,;2.66,-.08,;2.66,1.46,;-2.58,-1.62,;-3.49,-2.87,;-4.95,-2.39,;-4.95,-.85,;-3.49,-.37,;-3.09,1.11,;-1.6,1.51,;-4.18,2.2,;-5.66,1.8,;-6.75,2.89,;-6.36,4.38,;-7.44,5.47,;-8.93,5.07,;-9.33,3.58,;-8.24,2.49,;5.33,-3.16,;5.33,-4.7,;4,-5.47,;6.66,-5.47,;8,-4.7,;9.33,-5.47,;8,-3.16,;6.66,-2.39,;7.43,-1.06,)|
Structure:
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