Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial
Ligand
BDBM310942
Substrate
n/a
Meas. Tech.
IDH2 Inhibitory Activity
IC50
69.9±n/a nM
Citation
 Wang, S; Zhao, N; Liu, X; Hu, Y; Zhang, H; Luo, H; Peng, Y; Xiao, D; Han, Y; Zhang, X; Tian, X Antitumor compound targeting IDH2 mutation and method of use thereof US Patent  US10155722 Publication Date 12/18/2018 
Target
Name:
Isocitrate dehydrogenase [NADP], mitochondrial
Synonyms:
IDH2 | IDH2 (R172K, 40-end) | IDHP_HUMAN | Isocitrate dehydrogenase 2 (IDH2)
Type:
Protein
Mol. Mass.:
50923.31
Organism:
Homo sapiens (Human)
Description:
Full-length wild-type
Residue:
452
Sequence:
MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
  
Inhibitor
Name:
BDBM310942
Synonyms:
US10155722, Example 14
Type:
Small organic molecule
Emp. Form.:
C24H22F3N3O2S
Mol. Mass.:
473.511
SMILES:
CC(C(=O)NC1CC1)c1ccc(-c2ccsc2)c(NC(=O)Nc2cccc(c2)C(F)(F)F)c1
Structure:
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