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Target
Cytochrome P450 2D6
Ligand
BDBM50103543
Substrate
n/a
Meas. Tech.
ChEMBL_1434167 (CHEMBL3383975)
IC50
>10000±n/a nM
Citation
 Scott, JS; Bowker, SS; Brocklehurst, KJ; Brown, HS; Clarke, DS; Easter, A; Ertan, A; Goldberg, K; Hudson, JA; Kavanagh, S; Laber, D; Leach, AG; MacFaul, PA; Martin, EA; McKerrecher, D; Schofield, P; Svensson, PH; Teague, J Circumventing seizure activity in a series of G protein coupled receptor 119 (GPR119) agonists. J Med Chem 57:8984-98 (2014) [PubMed]  Article 
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:
BDBM50103543
Synonyms:
CHEMBL3358006
Type:
Small organic molecule
Emp. Form.:
C21H22F4N6O4S
Mol. Mass.:
530.496
SMILES:
C[C@@H]1CN(CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1)c1nc(no1)C(F)(F)F |r|
Structure:
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