Reaction Details Report a problem with these data
Target
ATP phosphoribosyltransferase
Ligand
BDBM25318
Substrate
BDBM25315
Meas. Tech.
Enzyme Inhibition Assay
pH
8.5±n/a
Temperature
295.15±n/a K
IC50
10000±n/a nM
Comments
50% 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-PRT | ATP-PRTase | HIS1_MYCTU | hisG
Type:
Glycosyltransferase
Mol. Mass.:
30473.85
Organism:
Mycobacterium tuberculosis
Description:
n/a
Residue:
284
Sequence:
MLRVAVPNKGALSEPATEILAEAGYRRRTDSKDLTVIDPVNNVEFFFLRPKDIAIYVGSGELDFGITGRDLVCDSGAQVRERLALGFGSSSFRYAAPAGRNWTTADLAGMRIATAYPNLVRKDLATKGIEATVIRLDGAVEISVQLGVADAIADVVGSGRTLSQHDLVAFGEPLCDSEAVLIERAGTDGQDQTEARDQLVARVQGVVFGQQYLMLDYDCPRSALKKATAITPGLESPTIAPLADPDWVAIRALVPRRDVNGIMDELAAIGAKAILASDIRFCRF
  
Inhibitor
Name:
BDBM25318
Synonyms:
(4-methoxyphenyl)methyl 2-methyl-5-oxo-4,7-bis(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate | ChemBridge hexahydroquinoline-3-carboxylate, 10
Type:
n/a
Emp. Form.:
C27H25NO4S2
Mol. Mass.:
491.622
SMILES:
COc1ccc(COC(=O)C2=C(C)N=C3CC(CC(=O)C3C2c2cccs2)c2cccs2)cc1 |c:10,t:13|
Structure:
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Substrate
Name:
BDBM25315
Synonyms:
Phosphoribosyl Pyrophosphate (PRPP) | {[(2R,3S,4R,5R)-3,4-dihydroxy-5-{[hydroxy(phosphonooxy)phosphoryl]oxy}oxolan-2-yl]methoxy}phosphonic acid
Type:
Pentosephosphate
Emp. Form.:
C5H13O14P3
Mol. Mass.:
390.0696
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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