Reaction Details Report a problem with these data
Target
TYR_PHOSPHATASE_2 domain-containing protein
Ligand
BDBM50450001
Substrate
n/a
Meas. Tech.
ChEMBL_1886957 (CHEMBL2212382)
IC50
2300±n/a nM
Citation
 Washburn, A; Abdeen, S; Ovechkina, Y; Ray, AM; Stevens, M; Chitre, S; Sivinski, J; Park, Y; Johnson, J; Hoang, QQ; Chapman, E; Parish, T; Johnson, SM Dual-targeting GroEL/ES chaperonin and protein tyrosine phosphatase B (PtpB) inhibitors: A polypharmacology strategy for treating Mycobacterium tuberculosis infections. Bioorg Med Chem Lett 29:1665-1672 (2019) [PubMed]  Article  BDB Entry
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:
BDBM50450001
Synonyms:
CHEMBL4162794
Type:
Small organic molecule
Emp. Form.:
C21H13Cl2N3O5S4
Mol. Mass.:
586.511
SMILES:
Clc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(Cl)s3)ccc2o1
Structure:
Search PDB for entries with ligand similarity: