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Target
Cytochrome P450 2D6
Ligand
BDBM50377221
Substrate
n/a
Meas. Tech.
ChEMBL_479363 (CHEMBL921646)
IC50
3200±n/a nM
Citation
 McAtee, JJ; Dodson, JW; Dowdell, SE; Girard, GR; Goodman, KB; Hilfiker, MA; Sehon, CA; Sha, D; Wang, GZ; Wang, N; Viet, AQ; Zhang, D; Aiyar, NV; Behm, DJ; Carballo, LH; Evans, CA; Fries, HE; Nagilla, R; Roethke, TJ; Xu, X; Yuan, CC; Douglas, SA; Neeb, MJ Development of potent and selective small-molecule human Urotensin-II antagonists. Bioorg Med Chem Lett 18:3500-3 (2008) [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:
BDBM50377221
Synonyms:
CHEMBL402813
Type:
Small organic molecule
Emp. Form.:
C27H35Cl2N3O3
Mol. Mass.:
520.491
SMILES:
COCCN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:12.22,13.14|
Structure:
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