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Target
1-deoxy-D-xylulose-5-phosphate synthase
Ligand
BDBM50026326
Substrate
n/a
Meas. Tech.
ChEMBL_1441267 (CHEMBL3380657)
Ki
4000±n/a nM
Citation
 Masini, T; Hirsch, AK Development of inhibitors of the 2C-methyl-D-erythritol 4-phosphate (MEP) pathway enzymes as potential anti-infective agents. J Med Chem 57:9740-63 (2014) [PubMed]  Article 
Target
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:
MLQQIRGPADLQHLSQAQLRELAAEIREFLIHKVAATGGHLGPNLGVVELTLALHRVFDSPHDPIIFDTGHQAYVHKMLTGRSQDFATLRKKGGLSGYPSRAESEHDWVESSHASAALSYADGLAKAFELTGHRNRHVVAVVGDGALTGGMCWEALNNIAASRRPVIIVVNDNGRSYAPTIGGVADHLATLRLQPAYEQALETGRDLVRAVPLVGGLWFRFLHSVKAGIKDSLSPQLLFTDLGLKYVGPVDGHDERAVEVALRSARRFGAPVIVHVVTRKGMGYPPAEADQAEQMHSTVPIDPATGQATKVAGPGWTATFSDALIGYAQKRRDIVAITAAMPGPTGLTAFGQRFPDRLFDVGIAEQHAMTSAAGLAMGGLHPVVAIYSTFLNRAFDQIMMDVALHKLPVTMVLDRAGITGSDGASHNGMWDLSMLGIVPGIRVAAPRDATRLREELGEALDVDDGPTALRFPKGDVGEDISALERRGGVDVLAAPADGLNHDVLLVAIGAFAPMALAVAKRLHNQGIGVTVIDPRWVLPVSDGVRELAVQHKLLVTLEDNGVNGGAGSAVSAALRRAEIDVPCRDVGLPQEFYEHASRSEVLADLGLTDQDVARRITGWVAALGTGVCASDAIPEHLD
  
Inhibitor
Name:
BDBM50026326
Synonyms:
CHEMBL3305928
Type:
Small organic molecule
Emp. Form.:
C6H13O4P
Mol. Mass.:
180.1388
SMILES:
CCCCOP(O)(=O)C(C)=O
Structure:
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