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Target
TYR_PHOSPHATASE_2 domain-containing protein
Ligand
BDBM50518482
Substrate
n/a
Meas. Tech.
ChEMBL_1871707 (CHEMBL4372874)
Ki
1100±n/a nM
Citation
 Thanh, ND; Hai, DS; Ha, NTT; Tung, DT; Le, CT; Van, HTK; Toan, VN; Toan, DN; Dang, LH Synthesis, biological evaluation and molecular docking study of 1,2,3-1H-triazoles having 4H-pyrano[2,3-d]pyrimidine as potential Mycobacterium tuberculosis protein tyrosine phosphatase B inhibitors. Bioorg Med Chem Lett 29:164-171 (2019) [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:
BDBM50518482
Synonyms:
CHEMBL4582827
Type:
Small organic molecule
Emp. Form.:
C38H45N5O13
Mol. Mass.:
779.7896
SMILES:
CCOC(=O)C1=C(C)Oc2nc(C)n(Cc3cn(nn3)[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)c(=O)c2C1c1ccc(cc1)C(C)C |r,c:5|
Structure:
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