Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K]
Ligand
BDBM50503252
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
38.2±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:
Human
Description:
aa 40-end
Residue:
413
Sequence:
ADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGKHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
  
Inhibitor
Name:
BDBM50503252
Synonyms:
CHEMBL4448671 | US10745383, Example 4
Type:
Small organic molecule
Emp. Form.:
C19H15F6N7O
Mol. Mass.:
471.3591
SMILES:
FC(F)(F)c1cccc(n1)-c1nc(NOCC2CC2)nc(Nc2ccnc(c2)C(F)(F)F)n1
Structure:
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