Reaction Details Report a problem with these data
Target
Cytochrome P450 2D6
Ligand
BDBM50315203
Substrate
n/a
Meas. Tech.
ChEMBL_760859 (CHEMBL1815844)
IC50
11000±n/a nM
Citation
 Moree, WJ; Li, BF; Zamani-Kord, S; Yu, J; Coon, T; Huang, C; Marinkovic, D; Tucci, FC; Malany, S; Bradbury, MJ; Hernandez, LM; Wen, J; Wang, H; Hoare, SR; Petroski, RE; Jalali, K; Yang, C; Sacaan, A; Madan, A; Crowe, PD; Beaton, G Identification of a novel selective H1-antihistamine with optimized pharmacokinetic properties for clinical evaluation in the treatment of insomnia. Bioorg Med Chem Lett 20:5874-8 (2010) [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:
BDBM50315203
Synonyms:
(R)-2-(3-(1-(3-methoxypyrazin-2-yl)ethyl)-6-methyl-1H-inden-2-yl)-N,N-dimethylethanamine | CHEMBL1090176
Type:
Small organic molecule
Emp. Form.:
C21H27N3O
Mol. Mass.:
337.4586
SMILES:
COc1nccnc1[C@H](C)C1=C(CCN(C)C)Cc2cc(C)ccc12 |r,c:11|
Structure:
Search PDB for entries with ligand similarity: