Ki Summary

Reaction Details

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Target

Isocitrate dehydrogenase [NADP], mitochondrial [R172K]

Ligand

BDBM497337

Substrate/Competitor

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; Gilmour, R; 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 US11629156 Publication Date 4/18/2023

More Info.:

Get all data from this article, Assay Method

Isocitrate dehydrogenase [NADP], mitochondrial [R172K]

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:

MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTR
IIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDE
ARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGQHAHGDQYK
ATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAI
QKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKS
SGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQK
GRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIH
GLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ

BDBM497337

n/a

Name

BDBM497337

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 | US11001596, Example 3 | US11001596, Example 4 | US11629156, Example 3

Type

Small organic molecule

Emp. Form.

C27H34N6O3

Mol. Mass.

490.5973

SMILES

C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1ccc(cc1)[C@@H](CC1CC1)N1CCN(CC1)C(=O)C=C |r|

Structure