Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50329618 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_675471 (CHEMBL1273608) |
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IC50 | >30000±n/a nM |
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Citation | Xia, Y; Chackalamannil, S; Greenlee, WJ; Wang, Y; Hu, Z; Root, Y; Wong, J; Kong, J; Ahn, HS; Boykow, G; Hsieh, Y; Kurowski, S; Chintala, M Discovery of a vorapaxar analog with increased aqueous solubility. Bioorg Med Chem Lett20:6676-9 (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 |
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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BDBM50329618 |
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n/a |
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Name | BDBM50329618 |
Synonyms: | CHEMBL1270738 | ethyl(1R,3aR,4aR,6R,8aR,9S,9aS)-9-((E)-2-(2,3'-bipyridin-6'-yl)vinyl)-1-methyl-3-oxododecahydronaphtho[2,3-c]furan-6-ylcarbamate |
Type | Small organic molecule |
Emp. Form. | C28H33N3O4 |
Mol. Mass. | 475.5793 |
SMILES | CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2C=Cc2ccc(cn2)-c2ccccn2)C1 |r,w:21.23| |
Structure |
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