| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2D1 |
|---|
| Ligand | BDBM50121975 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_51708 (CHEMBL665723) |
|---|
| IC50 | 19900±n/a nM |
|---|
| Citation |  Venhorst, J; ter Laak, AM; Commandeur, JN; Funae, Y; Hiroi, T; Vermeulen, NP Homology modeling of rat and human cytochrome P450 2D (CYP2D) isoforms and computational rationalization of experimental ligand-binding specificities. J Med Chem46:74-86 (2002) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Cytochrome P450 2D1 |
|---|
| Name: | Cytochrome P450 2D1 |
|---|
| Synonyms: | CP2D1_RAT | CYPIID1 | Cyp2d-1 | Cyp2d1 | Cyp2d9 | Debrisoquine 4-hydroxylase | P450-CMF1A | P450-DB1 | P450-UT-7 |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 57179.81 |
|---|
| Organism: | Rattus norvegicus |
|---|
| Description: | ChEMBL_51708 |
|---|
| Residue: | 504 |
|---|
| Sequence: | MELLNGTGLWSMAIFTVIFILLVDLMHRRHRWTSRYPPGPVPWPVLGNLLQVDLSNMPYS
LYKLQHRYGDVFSLQKGWKPMVIVNRLKAVQEVLVTHGEDTADRPPVPIFKCLGVKPRSQ
GVILASYGPEWREQRRFSVSTLRTFGMGKKSLEEWVTKEAGHLCDAFTAQAGQSINPKAM
LNKALCNVIASLIFARRFEYEDPYLIRMVKLVEESLTEVSGFIPEVLNTFPALLRIPGLA
DKVFQGQKTFMALLDNLLAENRTTWDPAQPPRNLTDAFLAEVEKAKGNPESSFNDENLRM
VVVDLFTAGMVTTATTLTWALLLMILYPDVQRRVQQEIDEVIGQVRCPEMTDQAHMPYTN
AVIHEVQRFGDIAPLNLPRFTSCDIEVQDFVIPKGTTLIINLSSVLKDETVWEKPHRFHP
EHFLDAQGNFVKHEAFMPFSAGRRACLGEPLARMELFLFFTCLLQRFSFSVPVGQPRPST
HGFFAFPVAPLPYQLCAVVREQGL
|
|
|
|---|
| BDBM50121975 |
|---|
| n/a |
|---|
| Name | BDBM50121975 |
|---|
| Synonyms: | (6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol | CARDIOQUIN | CHEMBL1294 | CIN-QUIN | DURAQUIN | QUINACT | QUINAGLUTE | QUINALAN | QUINATIME | QUINIDEX | QUINIDINE | QUINORA | US9402878, Quinidine |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C20H24N2O2 |
|---|
| Mol. Mass. | 324.4168 |
|---|
| SMILES | COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| |
|---|
| Structure | 
|
|---|
Search and Browse
