Reaction Details
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Report a problem with these dataTarget
Isocitrate dehydrogenase [NADP], mitochondrial [R172S]
Ligand
BDBM195602
Substrate
n/a
Meas. Tech.
RapidFire-MS/MS and NADPH Assays
Temperature
298.15±n/a K
IC50
>100000±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:
IDH2 | IDHP_HUMAN | Isocitrate dehydrogenase 2 mutant (R172S)
Type:
Protein
Mol. Mass.:
50853.19
Organism:
Homo sapiens (Human)
Description:
R172S mutant
Residue:
452
Sequence:
MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIRNILGGTVFREPIICKNIPRLVPGWTKPITIGSHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
Inhibitor
Name:
BDBM195602
Synonyms:
GSK990
Type:
Small organic molecule
Emp. Form.:
C23H23N7O2
Mol. Mass.:
429.4744
SMILES:
Cc1cccc(NC(=O)c2nn(Cc3c[nH]cn3)c3CCN(Cc23)C(=O)c2ccc[nH]2)c1
Structure:
