Reaction Details |
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Target | Cytochrome P450 2C19 |
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Ligand | BDBM50566354 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2100083 (CHEMBL4808479) |
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IC50 | >20000±n/a nM |
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Citation | Priebbenow, DL; Mathiew, M; Shi, DH; Harjani, JR; Beveridge, JG; Chavchich, M; Edstein, MD; Duffy, S; Avery, VM; Jacobs, RT; Brand, S; Shackleford, DM; Wang, W; Zhong, L; Lee, G; Tay, E; Barker, H; Crighton, E; White, KL; Charman, SA; De Paoli, A; Creek, DJ; Baell, JB Discovery of Potent and Fast-Acting Antimalarial Bis-1,2,4-triazines. J Med Chem64:4150-4162 (2021) [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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BDBM50566354 |
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n/a |
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Name | BDBM50566354 |
Synonyms: | CHEMBL4853103 |
Type | Small organic molecule |
Emp. Form. | C13H19N7O2 |
Mol. Mass. | 305.3357 |
SMILES | CCCOc1nncc(n1)-c1cnnc(OCCN(C)C)n1 |
Structure |
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