Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
Ligand
BDBM497348
Substrate
n/a
Meas. Tech.
Biochemical Assays for IDH1 and IDH2 Mutant Enzymes
IC50
22.4±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  US11649247 Publication Date 5/16/2023 
Target
Name:
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
Synonyms:
IDH2 | IDHP_HUMAN | Isocitrate dehydrogenase [NADP], mitochondrial (IDH2)(R172K)
Type:
n/a
Mol. Mass.:
50894.25
Organism:
Homo sapiens (Human)
Description:
P48735[R172K]
Residue:
452
Sequence:
MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGQHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
  
Inhibitor
Name:
BDBM497348
Synonyms:
1-Ethyl-7-[[(1S)-1-[4-[3- methyl-1-(4-prop-2- enoylpiperazin-1- yl)butyl]phenyl]ethyl]amino]- 4H-pyrimido[4,5- d][1,3]oxazin-2-one | US11001596, Example 6 | US11001596, Example 7 | US11001596, Example 8 | US11629156, Example 6 | US11649247, Example 8
Type:
Small organic molecule
Emp. Form.:
C28H38N6O3
Mol. Mass.:
506.6397
SMILES:
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)C(CC(C)C)N3CCN(CC3)C(=O)C=C)nc12 |r|
Structure:
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