Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial
Ligand
BDBM50555770
Substrate
n/a
Meas. Tech.
ChEMBL_2053483 (CHEMBL4708484)
IC50
18±n/a nM
Citation
 Che, J; Huang, F; Zhang, M; Xu, G; Qu, B; Gao, J; Chen, B; Zhang, J; Ying, H; Hu, Y; Hu, X; Zhou, Y; Gao, A; Li, J; Dong, X Structure-based design, synthesis and bioactivity evaluation of macrocyclic inhibitors of mutant isocitrate dehydrogenase 2 (IDH2) displaying activity in acute myeloid leukemia cells. Eur J Med Chem 203:0 (2020) [PubMed]  Article 
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:
BDBM50555770
Synonyms:
CHEMBL4762400
Type:
Small organic molecule
Emp. Form.:
C23H22F6N6O
Mol. Mass.:
512.4508
SMILES:
CC1CNc2nc(Nc3cc(CCCCO1)cc(c3)C(F)(F)F)nc(n2)-c1cccc(n1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: