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TargetCytochrome P450 2D6
LigandBDBM50013515
Substrate/Competitorn/a
Meas. Tech.ChEMBL_302344 (CHEMBL828928)
Ki 180±n/a nM
Citation Kemp, CAFlanagan, JUvan Eldik, AJMaréchal, JDWolf, CRRoberts, GCPaine, MJSutcliffe, MJ Validation of model of cytochrome P450 2D6: an in silico tool for predicting metabolism and inhibition. J Med Chem47:5340-6 (2004) [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:
BDBM50013515
n/a
NameBDBM50013515
Synonyms:(+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimban-16-carboxylic acid methyl ester | 17alpha-hydroxyyohimban-16alpha-carboxylic acid methyl ester | CHEMBL15245 | CORYNANTHINE | Johimbin | Quebrachin | RAUWOLSCINE | YOHIMBINE CHLORIDE | Yohimbin | Yohimbine | aphrodine | cid_8969 | corynine | methyl 17alpha-hydroxyyohimban-16alpha-carboxylate | quebrachine | yohimbic acid methyl ester
TypeSmall organic molecule
Emp. Form.C21H26N2O3
Mol. Mass.354.4427
SMILESCOC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12 |r|
Structure
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