| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2C9 |
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| Ligand | BDBM50020412 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1366635 (CHEMBL3296729) |
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| IC50 | >30000±n/a nM |
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| Citation |  Hameed P, S; Chinnapattu, M; Shanbag, G; Manjrekar, P; Koushik, K; Raichurkar, A; Patil, V; Jatheendranath, S; Rudrapatna, SS; Barde, SP; Rautela, N; Awasthy, D; Morayya, S; Narayan, C; Kavanagh, S; Saralaya, R; Bharath, S; Viswanath, P; Mukherjee, K; Bandodkar, B; Srivastava, A; Panduga, V; Reddy, J; Prabhakar, KR; Sinha, A; Jiménez-Díaz, MB; Martínez, MS; Angulo-Barturen, I; Ferrer, S; Sanz, LM; Gamo, FJ; Duffy, S; Avery, VM; Magistrado, PA; Lukens, AK; Wirth, DF; Waterson, D; Balasubramanian, V; Iyer, PS; Narayanan, S; Hosagrahara, V; Sambandamurthy, VK; Ramachandran, S Aminoazabenzimidazoles, a novel class of orally active antimalarial agents. J Med Chem57:5702-13 (2014) [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 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 55636.33 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P11712 |
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| Residue: | 490 |
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| Sequence: | MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKV
YGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKW
KEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICS
IIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFM
KSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTE
TTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYID
LLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFK
KSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVP
PFYQLCFIPV
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| BDBM50020412 |
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| n/a |
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| Name | BDBM50020412 |
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| Synonyms: | CHEMBL3289811 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H18ClF3N4O3 |
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| Mol. Mass. | 442.819 |
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| SMILES | Nc1nc2ccc(OC3CCOC3)nc2n1CC(O)c1ccc(cc1Cl)C(F)(F)F |
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| Structure | 
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