Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Isocitrate dehydrogenase [NADP], mitochondrial [R172S]
Ligand
BDBM195601
Substrate
n/a
Meas. Tech.
RapidFire-MS/MS and NADPH Assays
Temperature
298.1500±n/a K
IC50
1034±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] Article More Info.:
Target
Name:
Isocitrate dehydrogenase [NADP], mitochondrial [R172S]
Synonyms:
IDHP_HUMAN | IDH2 | Isocitrate dehydrogenase 2 mutant (R172S)
Type:
Protein
Mol. Mass.:
50853.19
Organism:
Human
Description:
R172S mutant
Residue:
452
Sequence:
MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGSHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
Inhibitor
Name:
BDBM195601
Synonyms:
GSK321 | US11376246, Cpd ID GSK321 | US11576906, Compound GSK321 | US11311527, Cpd ID GSK321
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
C[C@@H]1CN(Cc2c1n(nc2C(=O)Nc3cccc(c3)[C@H](C)O)Cc4ccc(cc4)F)C(=O)c5ccc[nH]5
Structure:
