Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K]
Ligand
BDBM458492
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
154±n/a nM
Citation
 Zhao, N; Wang, S; Liu, X; Hu, Y; Zhang, H; Luo, H; Peng, Y; Han, Y; Zhang, X; Xu, H 1,3,5-triazine derivative and method of using same US Patent  US10745383 Publication Date 8/18/2020 
Target
Name:
Isocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K]
Synonyms:
IDH2 | IDHP_HUMAN | Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46594.87
Organism:
Homo sapiens (Human)
Description:
aa 40-end
Residue:
413
Sequence:
ADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGKHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
  
Inhibitor
Name:
BDBM458492
Synonyms:
2-methyl-2-(((4-(6-(trifluoromethyl)pyridin-2-yl)-6-((2-(trifluoromethyl)pyridin-4-yl)amino)-1,3,5-triazin-2-yl)amino)oxy)propan-1-ol | US10745383, Example 7
Type:
Small organic molecule
Emp. Form.:
C19H17F6N7O2
Mol. Mass.:
489.3744
SMILES:
CC(C)(CO)ONc1nc(Nc2ccnc(c2)C(F)(F)F)nc(n1)-c1cccc(n1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: