Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
Ligand
BDBM280172
Substrate
n/a
Meas. Tech.
In Vitro Assays for IDH2m R140Q Inhibitors
IC50
<50±n/a nM
Citation
 Konteatis, ZD; Popovici-Muller, J; Travins, J; Zahler, R; Cai, Z; Zhou, D Therapeutically active compounds and their methods of use US Patent  US10946023 Publication Date 3/16/2021 
Target
Name:
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
Synonyms:
IDH2 | IDH2(R140Q) | IDHP_HUMAN | idh2 r140q
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50823.17
Organism:
Homo sapiens (Human)
Description:
P48735 (R140Q)
Residue:
452
Sequence:
MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIGNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
  
Inhibitor
Name:
BDBM280172
Synonyms:
US10028961, Compound 325 | US10172864, Compound 325 | US10946023, Compound 325
Type:
Small organic molecule
Emp. Form.:
C18H16F5N7O
Mol. Mass.:
441.358
SMILES:
CC(C)(O)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)-c1nccc(n1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: