Target
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
Ligand
BDBM497337
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
81.1±n/a nM
Citation
 Bauer, RABoulet, SLBurkholder, TPHahn, PJRankovic, Z 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors US Patent  US11001596 Publication Date 5/11/2021 
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:
BDBM497337
Synonyms:
7-[[(1S)-1-[4-[2- Cyclopropyl-1-(4-prop-2- enoylpiperazin-1- yl)ethyl]phenyl]ethyl]amino]- 1-methyl-4H-pyrimido[4,5- d][1,3]oxazin-2-one, diastereomer 1 | US11001596, Example 3 | US11001596, Example 4 | US11629156, Example 3
Type:
Small organic molecule
Emp. Form.:
C27H34N6O3
Mol. Mass.:
490.5973
SMILES:
C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r|
Structure:
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