| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C19 |
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| Ligand | BDBM50330748 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_685217 (CHEMBL1287105) |
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| IC50 | >10000±n/a nM |
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| Citation |  Gianotti, M; Botta, M; Brough, S; Carletti, R; Castiglioni, E; Corti, C; Dal-Cin, M; Delle Fratte, S; Korajac, D; Lovric, M; Merlo, G; Mesic, M; Pavone, F; Piccoli, L; Rast, S; Roscic, M; Sava, A; Smehil, M; Stasi, L; Togninelli, A; Wigglesworth, MJ Novel spirotetracyclic zwitterionic dual H(1)/5-HT(2A) receptor antagonists for the treatment of sleep disorders. J Med Chem53:7778-95 (2010) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2C19 |
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| Name: | Cytochrome P450 2C19 |
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| Synonyms: | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
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| Type: | Enzyme |
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| Mol. Mass.: | 55935.47 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P33261 |
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| Residue: | 490 |
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| Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVVGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50330748 |
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| n/a |
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| Name | BDBM50330748 |
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| Synonyms: | 1-((1S)-5',11'-Dihydrospiro[cyclopentane-1,10'-dibenzo[a,d]-cyclohepten]-3-yl)-1,2,5,6-tetrahydro-3-pyridinecarboxylic Acid | CHEMBL1277935 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H27NO2 |
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| Mol. Mass. | 373.4874 |
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| SMILES | OC(=O)C1=CCCN(C1)C1CC[C@@]2(C1)Cc1ccccc1Cc1ccccc21 |r,t:3| |
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| Structure | 
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