Reaction Details |
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Target | 1-deoxy-D-xylulose-5-phosphate synthase |
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Ligand | BDBM50264037 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_535725 (CHEMBL989742) |
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IC50 | 41400±n/a nM |
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Citation | Mao, J; Eoh, H; He, R; Wang, Y; Wan, B; Franzblau, SG; Crick, DC; Kozikowski, AP Structure-activity relationships of compounds targeting mycobacterium tuberculosis 1-deoxy-D-xylulose 5-phosphate synthase. Bioorg Med Chem Lett18:5320-3 (2008) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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1-deoxy-D-xylulose-5-phosphate synthase |
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Name: | 1-deoxy-D-xylulose-5-phosphate synthase |
Synonyms: | DXS_MYCTU | dxs |
Type: | PROTEIN |
Mol. Mass.: | 67882.02 |
Organism: | Mycobacterium tuberculosis |
Description: | ChEMBL_1441273 |
Residue: | 638 |
Sequence: | MLQQIRGPADLQHLSQAQLRELAAEIREFLIHKVAATGGHLGPNLGVVELTLALHRVFDS
PHDPIIFDTGHQAYVHKMLTGRSQDFATLRKKGGLSGYPSRAESEHDWVESSHASAALSY
ADGLAKAFELTGHRNRHVVAVVGDGALTGGMCWEALNNIAASRRPVIIVVNDNGRSYAPT
IGGVADHLATLRLQPAYEQALETGRDLVRAVPLVGGLWFRFLHSVKAGIKDSLSPQLLFT
DLGLKYVGPVDGHDERAVEVALRSARRFGAPVIVHVVTRKGMGYPPAEADQAEQMHSTVP
IDPATGQATKVAGPGWTATFSDALIGYAQKRRDIVAITAAMPGPTGLTAFGQRFPDRLFD
VGIAEQHAMTSAAGLAMGGLHPVVAIYSTFLNRAFDQIMMDVALHKLPVTMVLDRAGITG
SDGASHNGMWDLSMLGIVPGIRVAAPRDATRLREELGEALDVDDGPTALRFPKGDVGEDI
SALERRGGVDVLAAPADGLNHDVLLVAIGAFAPMALAVAKRLHNQGIGVTVIDPRWVLPV
SDGVRELAVQHKLLVTLEDNGVNGGAGSAVSAALRRAEIDVPCRDVGLPQEFYEHASRSE
VLADLGLTDQDVARRITGWVAALGTGVCASDAIPEHLD
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BDBM50264037 |
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n/a |
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Name | BDBM50264037 |
Synonyms: | 3-(4-chlorophenyl)-5-((4-chlorophenylthio)methyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one | CHEMBL521592 |
Type | Small organic molecule |
Emp. Form. | C20H15Cl2N3OS |
Mol. Mass. | 416.324 |
SMILES | Cc1[nH]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccc(Cl)cc1 |
Structure |
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