| 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 | BDBM50044971 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1448371 (CHEMBL3376290) |
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| IC50 | 3600±n/a nM |
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| Citation |  Zinglé, C; Tritsch, D; Grosdemange-Billiard, C; Rohmer, M Catechol-rhodanine derivatives: Specific and promiscuous inhibitors of Escherichia coli deoxyxylulose phosphate reductoisomerase (DXR). Bioorg Med Chem22:3713-9 (2014) [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 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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| BDBM50044971 |
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| n/a |
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| Name | BDBM50044971 |
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| Synonyms: | CHEMBL3309760 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H20N2O5S2 |
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| Mol. Mass. | 492.567 |
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| SMILES | Cc1ccc(Oc2ccc(NC(=O)CN3C(=S)S\C(=C/c4cccc(O)c4O)C3=O)cc2)cc1 |
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| Structure | 
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