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Target
Low molecular weight protein-tyrosine phosphatase A
Ligand
BDBM26104
Substrate
BDBM13466
Meas. Tech.
Determination of Inhibitor Ki
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
>50000±n/a nM
Citation
 Soellner, MB; Rawls, KA; Grundner, C; Alber, T; Ellman, JA Fragment-based substrate activity screening method for the identification of potent inhibitors of the Mycobacterium tuberculosis phosphatase PtpB. J Am Chem Soc 129:9613-5 (2007) [PubMed]  Article 
Target
Name:
Low molecular weight protein-tyrosine phosphatase A
Synonyms:
PTPA_MYCTU | PTPase | Probable low molecular weight protein-tyrosine-phosphatase | Protein Tyrosine Phosphatase PTPA | mptpA | ptpA
Type:
Hydrolase
Mol. Mass.:
17891.84
Organism:
Mycobacterium tuberculosis
Description:
n/a
Residue:
163
Sequence:
MSDPLHVTFVCTGNICRSPMAEKMFAQQLRHRGLGDAVRVTSAGTGNWHVGSCADERAAGVLRAHGYPTDHRAAQVGTEHLAADLLVALDRNHARLLRQLGVEAARVRMLRSFDPRSGTHALDVEDPYYGDHSDFEEVFAVIESALPGLHDWVDERLARNGPS
  
Inhibitor
Name:
BDBM26104
Synonyms:
5-{2-cyclohexyl-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl}-1,2-oxazole-3-carboxylic acid | Isoxazole carboxylic acid, 19
Type:
Small organic molecule
Emp. Form.:
C23H19F4NO3
Mol. Mass.:
433.3955
SMILES:
OC(=O)c1cc(on1)-c1ccc(cc1C1CCCCC1)-c1ccc(F)c(c1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM13466
Synonyms:
4-Nitrophenyl phosphate disodium salt hexahydrate | 4-nitrophenyl phosphate (pNPP) | disodium (4-nitrophenyl) phosphate | para-nitrophenyl phosphate (pNPP)
Type:
Small organic molecule
Emp. Form.:
C6H4NO6P
Mol. Mass.:
217.0739
SMILES:
[O-][N+](=O)c1ccc(O[P+]([O-])([O-])[O-])cc1
Structure:
Search PDB for entries with ligand similarity: