Reaction Details 
Report a problem with these data
Report a problem with these dataTarget
Isocitrate dehydrogenase [NADP], mitochondrial
Ligand
BDBM195601
Substrate
n/a
Meas. Tech.
Diaphorase/Resazurin Coupled Assay
Temperature
298.15±n/a K
IC50
496±0.0 nM
Comments
extracted
Citation
Okoye-Okafor, UC; Bartholdy, B; Cartier, J; Gao, EN; Pietrak, B; Rendina, AR; Rominger, C; Quinn, C; Smallwood, A; Wiggall, KJ; Reif, AJ; Schmidt, SJ; Qi, H; Zhao, H; Joberty, G; Faelth-Savitski, M; Bantscheff, M; Drewes, G; Duraiswami, C; Brady, P; Groy, A; Narayanagari, SR; Antony-Debre, I; Mitchell, K; Wang, HR; Kao, YR; Christopeit, M; Carvajal, L; Barreyro, L; Paietta, E; Makishima, H; Will, B; Concha, N; Adams, ND; Schwartz, B; McCabe, MT; Maciejewski, J; Verma, A; Steidl, U New IDH1 mutant inhibitors for treatment of acute myeloid leukemia Nat Chem Biol 11:878-86 (2015) [PubMed] ArticleMore Info.:
Target
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:
MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
Inhibitor
Name:
BDBM195601
Synonyms:
GSK321 | US11311527, Cpd ID GSK321 | US11376246, Cpd ID GSK321 | US11576906, Compound GSK321
Type:
Small organic molecule
Emp. Form.:
C28H28FN5O3
Mol. Mass.:
501.552
SMILES:
C[C@H](O)c1cccc(NC(=O)c2nn(Cc3ccc(F)cc3)c3[C@H](C)CN(Cc23)C(=O)c2ccc[nH]2)c1 |r|
Structure:
