| Reaction Details |
|---|
 | Report a problem with these data |
| Target | 1-deoxy-D-xylulose 5-phosphate reductoisomerase |
|---|
| Ligand | BDBM50422669 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_307250 (CHEMBL829156) |
|---|
| IC50 | 54±n/a nM |
|---|
| Citation |  Silber, K; Heidler, P; Kurz, T; Klebe, G AFMoC enhances predictivity of 3D QSAR: a case study with DOXP-reductoisomerase. J Med Chem48:3547-63 (2005) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| 1-deoxy-D-xylulose 5-phosphate reductoisomerase |
|---|
| Name: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase |
|---|
| 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 |
|---|
| Type: | Protein |
|---|
| Mol. Mass.: | 43384.52 |
|---|
| Organism: | Escherichia coli |
|---|
| Description: | P45568 |
|---|
| Residue: | 398 |
|---|
| Sequence: | MKQLTILGSTGSIGCSTLDVVRHNPEHFRVVALVAGKNVTRMVEQCLEFSPRYAVMDDEA
SAKLLKTMLQQQGSRTEVLSGQQAACDMAALEDVDQVMAAIVGAAGLLPTLAAIRAGKTI
LLANKESLVTCGRLFMDAVKQSKAQLLPVDSEHNAIFQSLPQPIQHNLGYADLEQNGVVS
ILLTGSGGPFRETPLRDLATMTPDQACRHPNWSMGRKISVDSATMMNKGLEYIEARWLFN
ASASQMEVLIHPQSVIHSMVRYQDGSVLAQLGEPDMRTPIAHTMAWPNRVNSGVKPLDFC
KLSALTFAAPDYDRYPCLKLAMEAFEQGQAATTALNAANEITVAAFLAQQIRFTDIAALN
LSVLEKMDMREPQCVDDVLSVDANAREVARKEVMRLAS
|
|
|
|---|
| BDBM50422669 |
|---|
| n/a |
|---|
| Name | BDBM50422669 |
|---|
| Synonyms: | CHEMBL607359 | UK-513 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C6H14NO5P |
|---|
| Mol. Mass. | 211.1528 |
|---|
| SMILES | CC(CCN(O)C(C)=O)P(O)(O)=O |
|---|
| Structure | 
|
|---|
Search and Browse
