Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Cytochrome P450 2D6
Ligand
BDBM50548386
Substrate
n/a
Meas. Tech.
ChEMBL_2022085 (CHEMBL4675898)
IC50
1850±n/a nM
Citation
Labéguère, F; Dupont, S; Alvey, L; Soulas, F; Newsome, G; Tirera, A; Quenehen, V; Mai, TTT; Deprez, P; Blanqué, R; Oste, L; Le Tallec, S; De Vos, S; Hagers, A; Vandevelde, A; Nelles, L; Vandervoort, N; Conrath, K; Christophe, T; van der Aar, E; Wakselman, E; Merciris, D; Cottereaux, C; da Costa, C; Saniere, L; Clement-Lacroix, P; Jenkins, L; Milligan, G; Fletcher, S; Brys, R; Gosmini, R Discovery of 9-Cyclopropylethynyl-2-(( J Med Chem 63:13526-13545 (2020) [PubMed] Article More Info.:
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:
BDBM50548386
Synonyms:
CHEMBL3717363
Type:
Small organic molecule
Emp. Form.:
C22H22N2O4
Mol. Mass.:
378.4211
SMILES:
O=c1nc(OC[C@H]2COCCO2)cc2-c3ccc(cc3CCn12)C#CC1CC1 |r|
Structure:
