Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50499290
Substrate
n/a
Meas. Tech.
ChEMBL_1538964 (CHEMBL3737863)
IC50
2000±n/a nM
Citation
 Imbriglio, JE; Shen, DM; Liang, R; Marby, K; You, M; Youm, HW; Feng, Z; London, C; Xiong, Y; Tata, J; Verras, A; Garcia-Calvo, M; Song, X; Addona, GH; McLaren, DG; He, T; Murphy, B; Metzger, DE; Salituro, G; Deckman, D; Chen, Q; Jin, X; Stout, SJ; Wang, SP; Wilsie, L; Palyha, O; Han, S; Hubbard, BK; Previs, SF; Pinto, S; Taggart, A Discovery and Pharmacology of a Novel Class of Diacylglycerol Acyltransferase 2 Inhibitors. J Med Chem 58:9345-53 (2015) [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:
BDBM50499290
Synonyms:
CHEMBL3734797
Type:
Small organic molecule
Emp. Form.:
C29H32F3N5O4
Mol. Mass.:
571.5907
SMILES:
Cc1noc(n1)[C@H]1C[C@@H]1C(=O)NCc1ccc(-c2cccc(OC(F)(F)F)c2)c2CCN(Cc12)C(=O)NC(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity: