| Reaction Details |
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 | Report a problem with these data |
| Target | Cytochrome P450 2D6 |
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| Ligand | BDBM50499992 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1541291 (CHEMBL3742831) |
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| IC50 | 3400±n/a nM |
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| Citation |  Landge, S; Mullick, AB; Nagalapur, K; Neres, J; Subbulakshmi, V; Murugan, K; Ghosh, A; Sadler, C; Fellows, MD; Humnabadkar, V; Mahadevaswamy, J; Vachaspati, P; Sharma, S; Kaur, P; Mallya, M; Rudrapatna, S; Awasthy, D; Sambandamurthy, VK; Pojer, F; Cole, ST; Balganesh, TS; Ugarkar, BG; Balasubramanian, V; Bandodkar, BS; Panda, M; Ramachandran, V Discovery of benzothiazoles as antimycobacterial agents: Synthesis, structure-activity relationships and binding studies with Mycobacterium tuberculosis decaprenylphosphoryl-?-D-ribose 2'-oxidase. Bioorg Med Chem23:7694-710 (2015) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Cytochrome P450 2D6 |
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| Name: | Cytochrome P450 2D6 |
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| Synonyms: | CP2D6_HUMAN | CYP2D6 | CYP2DL1 | CYPIID6 | Cytochrome P450 2D6 (CYP2D6) | Debrisoquine 4-hydroxylase | P450-DB1 |
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| Type: | Protein |
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| Mol. Mass.: | 55774.82 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P10635 |
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| Residue: | 497 |
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| Sequence: | MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQ
LRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVF
LARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDK
AVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKV
LRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVA
DLFSAGMVTTSTTLAWGLLLMILHPDVQRRVQQEIDDVIGQVRRPEMGDQAHMPYTTAVI
HEVQRFGDIVPLGVTHMTSRDIEVQGFRIPKGTTLITNLSSVLKDEAVWEKPFRFHPEHF
LDAQGHFVKPEAFLPFSAGRRACLGEPLARMELFLFFTSLLQHFSFSVPTGQPRPSHHGV
FAFLVSPSPYELCAVPR
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| BDBM50499992 |
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| n/a |
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| Name | BDBM50499992 |
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| Synonyms: | CHEMBL3739863 |
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| Type | Small organic molecule |
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| Emp. Form. | C16H13F3N4O4S |
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| Mol. Mass. | 414.359 |
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| SMILES | [O-][N+](=O)c1cc(cc2nc(sc12)C1=N[C@@H](CO1)C(=O)N1CCCC1)C(F)(F)F |r,t:14| |
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| Structure | 
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