| Reaction Details |
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 | Report a problem with these data |
| Target | 1-deoxy-D-xylulose 5-phosphate reductoisomerase |
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| Ligand | BDBM59101 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Steady-State Inhibition Assay |
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| pH | 7.4±0 |
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| Ki | 7.9e+3±n/a nM |
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| Citation |  Sem, DS; Bertolaet, B; Baker, B; Chang, E; Costache, AD; Coutts, S; Dong, Q; Hansen, M; Hong, V; Huang, X; Jack, RM; Kho, R; Lang, H; Ma, CT; Meininger, D; Pellecchia, M; Pierre, F; Villar, H; Yu, L Systems-based design of bi-ligand inhibitors of oxidoreductases: filling the chemical proteomic toolbox. Chem Biol11:185-94 (2004) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| 1-deoxy-D-xylulose 5-phosphate reductoisomerase |
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| Name: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase |
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| Synonyms: | 1-Deoxy-D-xylulose 5-phosphate reductoisomerase (DXP) | 1-Deoxyxylulose 5-phosphate reductoisomerase (DXR) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) | 2-C-methyl-D-erythritol 4-phosphate synthase | DXP reductoisomerase | DXR_ECOLI | dxr | ispC | yaeM |
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| Type: | Protein |
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| Mol. Mass.: | 43384.52 |
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| Organism: | Escherichia coli |
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| Description: | P45568 |
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| Residue: | 398 |
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| Sequence: | MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEA
SAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTI
LLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVS
ILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFN
ASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFC
KLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALN
LSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS
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| BDBM59101 |
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| n/a |
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| Name | BDBM59101 |
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| Synonyms: | Bi-ligand, 4 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H15N3O8S3 |
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| Mol. Mass. | 533.555 |
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| SMILES | Oc1ccc(\C=C2/SC(=S)N(CC(=O)NCCSc3cc(nc(c3)C([O-])=O)C([O-])=O)C2=O)cc1O |
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| Structure | 
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