Reaction Details Report a problem with these data
Target
ATP phosphoribosyltransferase
Ligand
BDBM25322
Substrate
BDBM25315
Meas. Tech.
Enzyme Inhibition Assay
pH
8.5000±n/a
Temperature
295.1500±n/a K
IC50
5500±n/a nM
Comments
71% inhibition @ 10 uM.
Citation
 Cho, Y; Ioerger, TR; Sacchettini, JC Discovery of novel nitrobenzothiazole inhibitors for Mycobacterium tuberculosis ATP phosphoribosyl transferase (HisG) through virtual screening. J Med Chem 51:5984-92 (2008) [PubMed]  Article 
Target
Name:
ATP phosphoribosyltransferase
Synonyms:
ATP-PRTase | ATP-PRT | HIS1_MYCTU | hisG
Type:
Glycosyltransferase
Mol. Mass.:
30473.85
Organism:
Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
Description:
n/a
Residue:
284
Sequence:
MLRVAVPNKGALSEPATEILAEAGYRRRTDSKDLTVIDPVNNVEFFFLRPKDIAIYVGSGELDFGITGRDLVCDSGAQVRERLALGFGSSSFRYAAPAGRNWTTADLAGMRIATAYPNLVRKDLATKGIEATVIRLDGAVEISVQLGVADAIADVVGSGRTLSQHDLVAFGEPLCDSEAVLIERAGTDGQDQTEARDQLVARVQGVVFGQQYLMLDYDCPRSALKKATAITPGLESPTIAPLADPDWVAIRALVPRRDVNGIMDELAAIGAKAILASDIRFCRF
  
Inhibitor
Name:
BDBM25322
Synonyms:
2-bromo-3,5-dinitro-N-[(phenylcarbamoyl)amino]benzamide | ChemBridge N-phenylhydrazinecarboxamide, 17
Type:
Small organic molecule
Emp. Form.:
C14H10BrN5O6
Mol. Mass.:
422.98
SMILES:
[O-][N+](=O)c1cc(C(=O)NNC(=O)Nc2ccccc2)c(Br)c(c1)[N+]([O-])=O
Structure:
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Substrate
Name:
BDBM25315
Synonyms:
{[(2R,3S,4R,5R)-3,4-dihydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}oxolan-2-yl]methoxy}phosphonic acid | Phosphoribosyl Pyrophosphate (PRPP)
Type:
Pentosephosphate
Emp. Form.:
C5H13O14P3
Mol. Mass.:
389.95
SMILES:
O[C@H]1[C@@H](O)[C@@H](OP(O)(=O)OP(O)(O)=O)O[C@@H]1COP(O)(O)=O |r|
Structure:
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