Reaction Details
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Report a problem with these dataTarget
Isocitrate dehydrogenase [NADP], mitochondrial [R172K]
Ligand
BDBM603011
Substrate
n/a
Meas. Tech.
Biochemical Assays for IDH1 and IDH2 Mutant Enzymes
IC50
15.6±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 More Info.:
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:
BDBM603011
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 | US11649247, Example 3 | US11649247, Example 4
Type:
Small organic molecule
Emp. Form.:
C27H34N6O3
Mol. Mass.:
490.5973
SMILES:
C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)C(CC1CC1)N1CCN(CC1)C(=O)C=C |r|
Structure:
