Reaction Details |
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Target | Cytochrome P450 2D1 |
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Ligand | BDBM50122614 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_51708 (CHEMBL665723) |
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IC50 | 329000±n/a nM |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2D1 |
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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
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BDBM50122614 |
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n/a |
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Name | BDBM50122614 |
Synonyms: | 4-Dimethylaminomethyl-7-methoxy-chromen-2-one | CHEMBL355539 |
Type | Small organic molecule |
Emp. Form. | C13H15NO3 |
Mol. Mass. | 233.2631 |
SMILES | COc1ccc2c(CN(C)C)cc(=O)oc2c1 |
Structure |
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