Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM280739
Substrate
n/a
Meas. Tech.
CYP P450 Enzyme Inhibition
pH
7.4±n/a
IC50
1000±n/a nM
Comments
extracted
Citation
 Shapiro, G Pyrrolopyrimidine derivatives as NR2B NMDA receptor antagonists US Patent  US9567341 Publication Date 2/14/2017 
Target
Name:
Cytochrome P450 2D6
Synonyms:
CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1
Type:
Protein
Mol. Mass.:
55774.82
Organism:
Homo sapiens (Human)
Description:
P10635
Residue:
497
Sequence:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVIHEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHFLDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGVFAFLVSPSPYELCAVPR
  
Inhibitor
Name:
BDBM280739
Synonyms:
US10030026, Compound LX-1 | US10221182, Compound LX-1 | US10294230, Compound LX-1 | US10420768, Compound LX-1 | US10584127, Compound LX-1 | US11136328, Compound LX-1 | US9968610, Compound LX-1
Type:
Small organic molecule
Emp. Form.:
C19H19F5N6
Mol. Mass.:
426.3864
SMILES:
FC(F)(F)c1ccc(cc1)C(F)(F)CN1CCC(CC1)Nc1ncnc2[nH]ncc12
Structure:
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