| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Cytochrome P450 2D4 |
|---|
| Ligand | BDBM50367247 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_51712 (CHEMBL665727) |
|---|
| IC50 | 1700±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 2D4 |
|---|
| Name: | Cytochrome P450 2D4 |
|---|
| Synonyms: | CP2D4_RAT | CYPIID4 | Cyp2d-18 | Cyp2d-4 | Cyp2d18 | Cyp2d4 | Cytochrome P450 2D18 | Cytochrome P450 2D4 | Cytochrome P450-CMF3 | Cytochrome P450-DB4 | Debrisoquine 4-hydroxylase |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 56689.73 |
|---|
| Organism: | Rattus norvegicus |
|---|
| Description: | ChEMBL_1280215 |
|---|
| Residue: | 500 |
|---|
| Sequence: | MRMPTGSELWPIAIFTIIFLLLVDLMHRRQRWTSRYPPGPVPWPVLGNLLQIDFQNMPAG
FQKLRCRFGDLFSLQLAFESVVVLNGLPALREALVKYSEDTADRPPLHFNDQSGFGPRSQ
GVVLARYGPAWRQQRRFSVSTFRHFGLGKKSLEQWVTEEARCLCAAFADHSGFPFSPNTL
LDKAVCNVIASLLFACRFEYNDPRFIRLLDLLKDTLEEESGFLPMLLNVFPMLLHIPGLL
GKVFSGKKAFVAMLDELLTEHKVTWDPAQPPRDLTDAFLAEVEKAKGNPESSFNDENLRV
VVADLFMAGMVTTSTTLTWALLFMILRPDVQCRVQQEIDEVIGQVRRPEMADQARMPFTN
AVIHEVQRFADILPLGVPHKTSRDIEVQGFLIPKGTTLIINLSSVLKDETVWEKPLRFHP
EHFLDAQGNFVKHEAFMPFSAGRRACLGEPLARMELFLFFTCLLQRFSFSVPAGQPRPSN
YGVFGALTTPRPYQLCASPR
|
|
|
|---|
| BDBM50367247 |
|---|
| n/a |
|---|
| Name | BDBM50367247 |
|---|
| Synonyms: | QUININE | Quinamm | Quinsan | cid_3034034 |
|---|
| 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 |THB:20:19:12.13:16.15,10:12:19.18:16.15| |
|---|
| Structure | 
|
|---|
Search and Browse
