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Target
TYR_PHOSPHATASE_2 domain-containing protein
Ligand
BDBM50464767
Substrate
n/a
Meas. Tech.
ChEMBL_1782399 (CHEMBL4253916)
IC50
1430±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 
Target
Name:
TYR_PHOSPHATASE_2 domain-containing protein
Synonyms:
(PROTEIN-TYROSINE-PHOSPHATASE) (PTPase) | MPtpB | PHOSPHOTYROSINE PROTEIN PHOSPHATASE PTPB | Phosphotyrosine protein phosphatase | Phosphotyrosine-protein phosphatase PTPB | Protein Tyrosine Phosphatase PTPB
Type:
Hydrolase
Mol. Mass.:
30152.45
Organism:
Mycobacterium tuberculosis
Description:
n/a
Residue:
276
Sequence:
MAVRELPGAWNFRDVADTATALRPGRLFRSSELSRLDDAGRATLRRLGITDVADLRSSREVARRGPGRVPDGIDVHLLPFPDLADDDADDSAPHETAFKRLLTNDGSNGESGESSQSINDAATRYMTDEYRQFPTRNGAQRALHRVVTLLAAGRPVLTHCFAGKDRTGFVVALVLEAVGLDRDVIVADYLRSNDSVPQLRARISEMIQQRFDTELAPEVVTFTKARLSDGVLGVRAEYLAAARQTIDETYGSLGGYLRDAGISQATVNRMRGVLLG
  
Inhibitor
Name:
BDBM50464767
Synonyms:
Chalcomoracin
Type:
Small organic molecule
Emp. Form.:
C39H36O9
Mol. Mass.:
648.6977
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(cc2-[#8])-c2cc3ccc(-[#8])cc3o2)-c2ccc(-[#8])cc2-[#8])c1-[#8] |r,c:17|
Structure:
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