Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50139852 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEBML_1554010 |
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IC50 | >30000±n/a nM |
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Citation | Micheli, F; Cremonesi, S; Semeraro, T; Tarsi, L; Tomelleri, S; Cavanni, P; Oliosi, B; Perdonà, E; Sava, A; Zonzini, L; Feriani, A; Braggio, S; Heidbreder, C Novel morpholine scaffolds as selective dopamine (DA) D3 receptor antagonists. Bioorg Med Chem Lett26:1329-32 (2016) [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 |
Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | (S)-limonene 7-monooxygenase | CP2CJ_HUMAN | CYP2C19 | CYPIIC17 | CYPIIC19 | Cytochrome P450 2C19 (CYP2C19) | Cytochrome P450 2C19 [I331V] | Cytochrome P450-11A | Cytochrome P450-254C | Fenbendazole monooxygenase (4'-hydroxylating) | Mephenytoin 4-hydroxylase | P450-11A | P450-254C |
Type: | Enzyme |
Mol. Mass.: | 55935.47 |
Organism: | Homo sapiens (Human) |
Description: | P33261 |
Residue: | 490 |
Sequence: | MDPFVVLVLCLSCLLLLSIWRQSSGRGKLPPGPTPLPVIGNILQIDIKDVSKSLTNLSKI
YGPVFTLYFGLERMVVLHGYEVVKEALIDLGEEFSGRGHFPLAERANRGFGIVFSNGKRW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFQKRFDYKDQQFLNLMEKLNENIRIVSTPWIQICNNFPTIIDYFPGTHNKLLKNLAFM
ESDILEKVKEHQESMDINNPRDFIDCFLIKMEKEKQNQQSEFTIENLVITAADLLGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRGHMPYTDAVVHEVQRYID
LIPTSLPHAVTCDVKFRNYLIPKGTTILTSLTSVLHDNKEFPNPEMFDPRHFLDEGGNFK
KSNYFMPFSAGKRICVGEGLARMELFLFLTFILQNFNLKSLIDPKDLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50139852 |
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n/a |
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Name | BDBM50139852 |
Synonyms: | CHEMBL3765426 | US10577361, E11 |
Type | Small organic molecule |
Emp. Form. | C24H26F3N5O2S |
Mol. Mass. | 505.556 |
SMILES | Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(cc1)C(N)=O |
Structure |
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