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Target
Isocitrate dehydrogenase [NADP], mitochondrial
Ligand
BDBM50506474
Substrate
n/a
Meas. Tech.
ChEMBL_1825952 (CHEMBL4325716)
IC50
27300±n/a nM
Citation
 Caravella, JA; Lin, J; Diebold, RB; Campbell, AM; Ericsson, A; Gustafson, G; Wang, Z; Castro, J; Clarke, A; Gotur, D; Josephine, HR; Katz, M; Kershaw, M; Yao, L; Toms, AV; Barr, KJ; Dinsmore, CJ; Walker, D; Ashwell, S; Lu, W Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. J Med Chem 63:1612-1623 (2020) [PubMed]  Article 
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:
BDBM50506474
Synonyms:
Ft-2102 | Olutasidenib | US11311527, Cpd ID 1 | US11376246, Compound 1 | US11566013, Compound I-1
Type:
Small organic molecule
Emp. Form.:
C18H15ClN4O2
Mol. Mass.:
354.79
SMILES:
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
Structure:
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