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Target
Cytochrome P450 2D6
Ligand
BDBM50335380
Substrate
n/a
Meas. Tech.
ChEMBL_701745 (CHEMBL1656748)
IC50
1400±n/a nM
Citation
 Johnson, DS; Stiff, C; Lazerwith, SE; Kesten, SR; Fay, LK; Morris, M; Beidler, D; Liimatta, MB; Smith, SE; Dudley, DT; Sadagopan, N; Bhattachar, SN; Kesten, SJ; Nomanbhoy, TK; Cravatt, BF; Ahn, K Discovery of PF-04457845: A Highly Potent, Orally Bioavailable, and Selective Urea FAAH Inhibitor. ACS Med Chem Lett 2:91-96 (2011) [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:
BDBM50335380
Synonyms:
CHEMBL1651525 | N-Pyridin-3-yl-4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzylidene)piperidine-1-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H21F3N4O2
Mol. Mass.:
454.4443
SMILES:
FC(F)(F)c1ccc(-[#8]-c2cccc(\[#6]=[#6]-3\[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#7]-c3cccnc3)c2)nc1
Structure:
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