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TargetCytochrome P450 2D6
LigandBDBM50297336
Substrate/Competitorn/a
Meas. Tech.ChEMBL_583050 (CHEMBL1056549)
IC50 21000±n/a nM
Citation Le Bourdonnec, BWindh, RTLeister, LKZhou, QJAjello, CWGu, MChu, GHTuthill, PABarker, WMKoblish, MWiant, DDGraczyk, TMBelanger, SCassel, JAFeschenko, MSBrogdon, BLSmith, SADerelanko, MJKutz, SLittle, PJDeHaven, RNDeHaven-Hudkins, DLDolle, RE Spirocyclic delta opioid receptor agonists for the treatment of pain: discovery of N,N-diethyl-3-hydroxy-4-(spiro[chromene-2,4'-piperidine]-4-yl) benzamide (ADL5747). J Med Chem52:5685-702 (2009) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cytochrome P450 2D6
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:
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50297336
n/a
NameBDBM50297336
Synonyms:CHEMBL562280 | N,N-Diethyl-5-(spiro[chromene-2,4'-piperidine]-4-yl)pyrimidine-2-carboxamide
TypeSmall organic molecule
Emp. Form.C22H26N4O2
Mol. Mass.378.4674
SMILESCCN(CC)C(=O)c1ncc(cn1)C1=CC2(CCNCC2)Oc2ccccc12 |t:14|
Structure
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