Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
Ligand
BDBM603024
Substrate
n/a
Meas. Tech.
Biochemical Assays for IDH1 and IDH2 Mutant Enzymes
IC50
20.0±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:
BDBM603024
Synonyms:
1-Ethyl-7-[[(1S)-1-[4- [(1R/S)-1-(4-prop-2- enoylpiperazin-1- yl)propyl]phenyl]ethyl] amino]-4H-pyrimido[4,5- d][1,3]oxazin-2-one, isomer 1 | US11649247, Example 11 | US11649247, Example 12
Type:
Small organic molecule
Emp. Form.:
C26H34N6O3
Mol. Mass.:
478.5866
SMILES:
CCC(N1CCN(CC1)C(=O)C=C)c1ccc(cc1)[C@H](C)Nc1ncc2COC(=O)N(CC)c2n1 |r|
Structure:
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