Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial [40-452,R172K]
Ligand
BDBM497335
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
11.5±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 [40-452,R172K]
Synonyms:
IDH2 | IDHP_HUMAN | Isocitrate dehydrogenase [NADP], mitochondrial (IDH2) (R172K)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46594.87
Organism:
Homo sapiens (Human)
Description:
aa 40-end
Residue:
413
Sequence:
ADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGKHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
  
Inhibitor
Name:
BDBM497335
Synonyms:
7-[[(1S)-1-[4-[(1S)-2- cyclopropyl-1-(4-prop-2- enoylpiperazin-1-yl) ethyl]phenyl]ethyl]amino]- 1-ethyl-4H-pyrimido[4,5- d][1,3]oxazin-2-one | US11001596, Example 2 | US11629156, Example 2 | US11649247, Example 2
Type:
Small organic molecule
Emp. Form.:
C28H36N6O3
Mol. Mass.:
504.6238
SMILES:
CCN1C(=O)OCc2cnc(N[C@@H](C)c3ccc(cc3)[C@H](CC3CC3)N3CCN(CC3)C(=O)C=C)nc12 |r|
Structure:
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