Ki Summary

Reaction Details

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Target

Isocitrate dehydrogenase [NADP], mitochondrial

Ligand

BDBM50586268

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2165787 (CHEMBL5050648)

IC50

>50000±n/a nM

Citation

Huang, C; Fischer, C; Machacek, MR; Bogen, S; Biftu, T; Huang, X; Reutershan, MH; Otte, R; Hong, Q; Wu, Z; Yu, Y; Park, M; Chen, L; Biju, P; Knemeyer, I; Lu, P; Kochansky, CJ; Hicks, MB; Liu, Y; Helmy, R; Fradera, X; Donofrio, A; Close, J; Maddess, ML; White, C; Sloman, DL; Sciammetta, N; Lu, J; Gibeau, C; Simov, V; Zhang, H; Fuller, P; Witter, D Diminishing GSH-Adduct Formation of Tricyclic Diazepine-based Mutant IDH1 Inhibitors. ACS Med Chem Lett13:734-741 (2022) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Isocitrate dehydrogenase [NADP], mitochondrial

Name:

Isocitrate dehydrogenase [NADP], mitochondrial

Synonyms:

IDH2 | IDH2 (R172K, 40-end) | IDHP_HUMAN | Isocitrate dehydrogenase 2 (IDH2)

Type:

Protein

Mol. Mass.:

50923.31

Organism:

Homo sapiens (Human)

Description:

Full-length wild-type

Residue:

452

Sequence:

MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTR
IIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDE
ARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYK
ATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAI
QKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKS
SGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQK
GRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIH
GLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ

BDBM50586268

n/a

Name

BDBM50586268

Synonyms:

CHEMBL5079148

Type

Small organic molecule

Emp. Form.

C27H34N4O4

Mol. Mass.

478.5833

SMILES

CC(C)O[C@H]1CC[C@@H](OC1)C(=O)N1Cc2cccnc2Nc2ccc(cc12)N1CC2CCC1CO2 |r|

Structure