| Reaction Details |
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 | Report a problem with these data |
| Target | 1-deoxy-D-xylulose-5-phosphate synthase |
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| Ligand | BDBM40457 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_535725 (CHEMBL989742) |
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| IC50 | >200000±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 |
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| Synonyms: | DXS_MYCTU | dxs |
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| Type: | PROTEIN |
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| Mol. Mass.: | 67882.02 |
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| Organism: | Mycobacterium tuberculosis |
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| Description: | ChEMBL_1441273 |
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| Residue: | 638 |
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| Sequence: | MLQQIRGPADLQHLSQAQLRELAAEIREFLIHKVAATGGHLGPNLGVVELTLALHRVFDS
PHDPIIFDTGHQAYVHKMLTGRSQDFATLRKKGGLSGYPSRAESEHDWVESSHASAALSY
ADGLAKAFELTGHRNRHVVAVVGDGALTGGMCWEALNNIAASRRPVIIVVNDNGRSYAPT
IGGVADHLATLRLQPAYEQALETGRDLVRAVPLVGGLWFRFLHSVKAGIKDSLSPQLLFT
DLGLKYVGPVDGHDERAVEVALRSARRFGAPVIVHVVTRKGMGYPPAEADQAEQMHSTVP
IDPATGQATKVAGPGWTATFSDALIGYAQKRRDIVAITAAMPGPTGLTAFGQRFPDRLFD
VGIAEQHAMTSAAGLAMGGLHPVVAIYSTFLNRAFDQIMMDVALHKLPVTMVLDRAGITG
SDGASHNGMWDLSMLGIVPGIRVAAPRDATRLREELGEALDVDDGPTALRFPKGDVGEDI
SALERRGGVDVLAAPADGLNHDVLLVAIGAFAPMALAVAKRLHNQGIGVTVIDPRWVLPV
SDGVRELAVQHKLLVTLEDNGVNGGAGSAVSAALRRAEIDVPCRDVGLPQEFYEHASRSE
VLADLGLTDQDVARRITGWVAALGTGVCASDAIPEHLD
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| BDBM40457 |
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| n/a |
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| Name | BDBM40457 |
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| Synonyms: | 3-(4-chlorophenyl)-5-methyl-6-(phenylmethyl)-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one | 6-benzyl-3-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one | CHEMBL522818 | UNM000003620201 | cid_2211071 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H15ClF3N3O |
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| Mol. Mass. | 417.812 |
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| SMILES | Cc1nc2c(c([nH]n2c(=O)c1Cc1ccccc1)C(F)(F)F)-c1ccc(Cl)cc1 |
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| Structure | 
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