| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
|---|
| Ligand | BDBM50047017 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_123021 (CHEMBL729206) |
|---|
| Ki | 720±n/a nM |
|---|
| Citation |  Strobl, GR; von Kruedener, S; Stöckigt, J; Guengerich, FP; Wolff, T Development of a pharmacophore for inhibition of human liver cytochrome P-450 2D6: molecular modeling and inhibition studies. J Med Chem36:1136-45 (1993) [PubMed] |
|---|
| 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
|
|
|
|---|
| BDBM50047017 |
|---|
| n/a |
|---|
| Name | BDBM50047017 |
|---|
| Synonyms: | (6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanone | 6-methoxy-4-quinolyl-5-vinyl-1-azabicyclo[2.2.2]oct-2-ylmethanone | CHEMBL15477 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C20H22N2O2 |
|---|
| Mol. Mass. | 322.4009 |
|---|
| SMILES | COc1ccc2nccc(C(=O)C3CC4CCN3CC4C=C)c2c1 |TLB:10:12:18.19:16.15,20:19:12.13:16.15| |
|---|
| Structure | 
|
|---|
Search and Browse
