Reaction Details |
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Target | Cytochrome P450 2C9 |
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Ligand | BDBM50536191 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1933086 (CHEMBL4478738) |
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IC50 | 1900±n/a nM |
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Citation | Norcross, NR; Baragaña, B; Wilson, C; Hallyburton, I; Osuna-Cabello, M; Norval, S; Riley, J; Stojanovski, L; Simeons, FR; Porzelle, A; Grimaldi, R; Wittlin, S; Duffy, S; Avery, VM; Meister, S; Sanz, L; Jiménez-Díaz, B; Angulo-Barturen, I; Ferrer, S; Martínez, MS; Gamo, FJ; Frearson, JA; Gray, DW; Fairlamb, AH; Winzeler, EA; Waterson, D; Campbell, SF; Willis, P; Read, KD; Gilbert, IH Trisubstituted Pyrimidines as Efficacious and Fast-Acting Antimalarials. J Med Chem59:6101-20 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cytochrome P450 2C9 |
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Name: | Cytochrome P450 2C9 |
Synonyms: | (R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase |
Type: | Enzyme |
Mol. Mass.: | 55636.33 |
Organism: | Homo sapiens (Human) |
Description: | P11712 |
Residue: | 490 |
Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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BDBM50536191 |
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n/a |
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Name | BDBM50536191 |
Synonyms: | CHEMBL4584780 |
Type | Small organic molecule |
Emp. Form. | C23H26N6O |
Mol. Mass. | 402.4921 |
SMILES | C1CN(CCO1)C1CCN(CC1)c1cc(nc(n1)-c1ccncc1)-c1cccnc1 |
Structure |
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