Reaction Details Report a problem with these data
Target
TYR_PHOSPHATASE_2 domain-containing protein
Ligand
BDBM50544439
Substrate
n/a
Meas. Tech.
ChEMBL_1992557 (CHEMBL4626292)
IC50
35±n/a nM
Citation
 Ruddraraju, KV; Aggarwal, D; Niu, C; Baker, EA; Zhang, RY; Wu, L; Zhang, ZY Highly Potent and Selective  J Med Chem 63:9212-9227 (2020) [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:
BDBM50544439
Synonyms:
CHEMBL4646506 | US11192850, Entry 4s
Type:
Small organic molecule
Emp. Form.:
C21H20N2O5
Mol. Mass.:
380.3939
SMILES:
CC(C)(C)OC(=O)Nc1ccc(cc1)C#Cc1ccc(NC(=O)C(O)=O)cc1
Structure:
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