Reaction Details
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Low molecular weight protein-tyrosine phosphatase A
Ligand
BDBM50464769
Substrate
n/a
Meas. Tech.
ChEMBL_1782400 (CHEMBL4253917)
IC50
1490±n/a nM
Citation
Mascarello, A; Orbem Menegatti, AC; Calcaterra, A; Martins, PGA; Chiaradia-Delatorre, LD; D'Acquarica, I; Ferrari, F; Pau, V; Sanna, A; De Logu, A; Botta, M; Botta, B; Terenzi, H; Mori, M Naturally occurring Diels-Alder-type adducts from Morus nigra as potent inhibitors of Mycobacterium tuberculosis protein tyrosine phosphatase B. Eur J Med Chem 144:277-288 (2018) [PubMed] Article More Info.:
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 (strain ATCC 25618 / H37Rv)
Description:
n/a
Residue:
163
Sequence:
MSDPLHVTFVCTGNICRSPMAEKMFAQQLRHRGLGDAVRVTSAGTGNWHVGSCADERAAGVLRAHGYPTDHRAAQVGTEHLAADLLVALDRNHARLLRQLGVEAARVRMLRSFDPRSGTHALDVEDPYYGDHSDFEEVFAVIESALPGLHDWVDERLARNGPS
Inhibitor
Name:
BDBM50464769
Synonyms:
CHEMBL4290098
Type:
Small organic molecule
Emp. Form.:
C45H44O11
Mol. Mass.:
760.8243
SMILES:
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)-[#6@@H]-2-[#6@H](-[#6]-[#6](-[#6])=[#6]-[#6@H]-2-c2c(-[#8])cc(-[#8])c3c2oc(c(-[#6]\[#6]=[#6](\[#6])-[#6])c3=O)-c2ccc(-[#8])cc2-[#8])-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:17|
Structure:
