Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
Ligand
BDBM497355
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
239±n/a nM
Citation
 Bauer, RA; Boulet, SL; Burkholder, TP; Hahn, PJ; Rankovic, 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:
BDBM497355
Synonyms:
1-Ethyl-7-[[(1S)-1-[4-[3-methoxy-1-(4-prop-2-enoylpiperazin-1-yl)propyl]phenyl]ethyl]amino]-4H-pyrimido[4,5-d][1,3]oxazin-2-one, diastereomer 1 | US11001596, Example 13 | US11001596, Example 14 | US11649247, Example 14
Type:
Small organic molecule
Emp. Form.:
C27H36N6O4
Mol. Mass.:
508.6125
SMILES:
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CCOC)N3CCN(CC3)C(=O)C=C)nc12 |r|
Structure:
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