Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
Ligand
BDBM280077
Substrate
n/a
Meas. Tech.
In Vitro Assays for IDH2m R140Q Inhibitors
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
<50±n/a nM
Comments
extracted
Citation
 Konteatis, ZD; Popovici-Muller, J; Travins, JM; Zahler, R; Cai, Z; Zhou, D Therapeutically active compounds and their methods of use US Patent  US10028961 Publication Date 7/24/2018 
Target
Name:
Isocitrate dehydrogenase [NADP], mitochondrial [R140Q]
Synonyms:
IDH2 | IDH2(R140Q) | IDHP_HUMAN | idh2 r140q
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50823.17
Organism:
Homo sapiens (Human)
Description:
P48735 (R140Q)
Residue:
452
Sequence:
MAGYLRVVRSLCRASGSRPAWAPAALTAPTSQEQPRRHYADKRIKVAKPVVEMDGDEMTRIIWQFIKEKLILPHVDIQLKYFDLGLPNRDQTDDQVTIDSALATQKYSVAVKCATITPDEARVEEFKLKKMWKSPNGTIGNILGGTVFREPIICKNIPRLVPGWTKPITIGRHAHGDQYKATDFVADRAGTFKMVFTPKDGSGVKEWEVYNFPAGGVGMGMYNTDESISGFAHSCFQYAIQKKWPLYMSTKNTILKAYDGRFKDIFQEIFDKHYKTDFDKNKIWYEHRLIDDMVAQVLKSSGGFVWACKNYDGDVQSDILAQGFGSLGLMTSVLVCPDGKTIEAEAAHGTVTRHYREHQKGRPTSTNPIASIFAWTRGLEHRGKLDGNQDLIRFAQMLEKVCVETVESGAMTKDLAGCIHGLSNVKLNEHFLNTTDFLDTIKSNLDRALGRQ
  
Inhibitor
Name:
BDBM280077
Synonyms:
US10028961, Compound 230 | US10172864, Compound 230 | US10946023, Compound 230
Type:
Small organic molecule
Emp. Form.:
C24H22F6N6
Mol. Mass.:
508.4621
SMILES:
Fc1ccc(cc1)[C@H]1C[C@@H](C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(n1)C(F)(F)F |r,wU:7.7,wD:9.12,(9.46,.32,;8.13,-.45,;8.13,-1.99,;6.8,-2.76,;5.46,-1.99,;5.46,-.45,;6.8,.32,;4.13,-2.76,;3.73,-4.25,;2.24,-3.85,;2.64,-2.36,;.91,-4.62,;-.43,-3.85,;-1.76,-4.62,;-3.09,-3.85,;-4.43,-4.62,;-5.76,-3.85,;-5.76,-2.31,;-7.22,-1.83,;-8.13,-3.08,;-9.46,-2.31,;-9.46,-3.85,;-7.22,-4.33,;-3.09,-2.31,;-1.76,-1.54,;-.43,-2.31,;-1.76,,;-3.09,.77,;-3.09,2.31,;-1.76,3.08,;-.43,2.31,;-.43,.77,;.91,3.08,;2.24,2.31,;.91,4.62,;2.24,3.85,)|
Structure:
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