Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
Ligand
BDBM279970
Substrate
n/a
Meas. Tech.
In Vitro Assays for IDH2m R140Q Inhibitors
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
<50±n/a nM
Comments
extracted
Citation
 Konteatis, ZD; Popovici-Muller, J; Travins, JM; Zahler, R; Cai, Z; Zhou, D Therapeutically active compounds and their methods of use US Patent  US10028961 Publication Date 7/24/2018 
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:
BDBM279970
Synonyms:
US10028961, Compound 123 | US10172864, Compound 123 | US10946023, Compound 123
Type:
Small organic molecule
Emp. Form.:
C20H15F7N6
Mol. Mass.:
472.3621
SMILES:
Fc1cc(F)cc(Nc2nc(NC3CCC(F)(F)C3)nc(n2)-c2cccc(n2)C(F)(F)F)c1
Structure:
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