Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50146154 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1554795 (CHEMBL3766307) |
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IC50 | >100000±n/a nM |
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Citation | Edmondson, SD; Zhu, C; Kar, NF; Di Salvo, J; Nagabukuro, H; Sacre-Salem, B; Dingley, K; Berger, R; Goble, SD; Morriello, G; Harper, B; Moyes, CR; Shen, DM; Wang, L; Ball, R; Fitzmaurice, A; Frenkl, T; Gichuru, LN; Ha, S; Hurley, AL; Jochnowitz, N; Levorse, D; Mistry, S; Miller, RR; Ormes, J; Salituro, GM; Sanfiz, A; Stevenson, AS; Villa, K; Zamlynny, B; Green, S; Struthers, M; Weber, AE Discovery of Vibegron: A Potent and Selectiveß3 Adrenergic Receptor Agonist for the Treatment of Overactive Bladder. J Med Chem59:609-23 (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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BDBM50146154 |
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n/a |
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Name | BDBM50146154 |
Synonyms: | KRP-114V | MK-4618 | Vibegron |
Type | Small organic molecule |
Emp. Form. | C26H28N4O3 |
Mol. Mass. | 444.5255 |
SMILES | [H][C@@](O)(c1ccccc1)[C@@]1([H])CC[C@@]([H])(Cc2ccc(NC(=O)[C@]3([H])CCc4nccc(=O)n34)cc2)N1 |r| |
Structure |
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