Reaction Details  Report a problem with these data
Target
Tyrosine-protein phosphatase YopH
Ligand
BDBM50466478
Substrate
n/a
Meas. Tech.
ChEMBL_1793233 (CHEMBL4265152)
IC50
2600±n/a nM
Citation
 Sens, L; de Souza, ACA; Pacheco, LA; Menegatti, ACO; Mori, M; Mascarello, A; Nunes, RJ; Terenzi, H Synthetic thiosemicarbazones as a new class of Mycobacterium tuberculosis protein tyrosine phosphatase A inhibitors. Bioorg Med Chem 26:5742-5750 (2018) [PubMed]  Article
Target
Name:
Tyrosine-protein phosphatase YopH
Synonyms:
YOPH_YEREN | yop51 | yopH
Type:
PROTEIN
Mol. Mass.:
50951.99
Organism:
Yersinia enterocolitica
Description:
ChEMBL_965525
Residue:
468
Sequence:
MNLSLSDLHRQVSRLVQQESGDCTGKLRGNVAANKETTFQGLTIASGARESEKVFAQTVLSHVANIVLTQEDTAKLLQSTVKHNLNNYELRSVGNGNSVLVSLRSDQMTLQDAKVLLEAALRQESGARGHVSSHSHSVLHAPGTPVREGLRSHLDPRTPPLPPRERPHTSGHHGAGEARATAPSTVSPYGPEARAELSSRLTTLRNTLAPATNDPRYLQACGGEKLNRFRDIQCCRQTAVRADLNANYIQVGNTRTIACQYPLQSQLESHFRMLAENRTPVLAVLASSSEIANQRFGMPDYFRQSGTYGSITVESKMTQQVGLGDGIMADMYTLTIREAGQKTISVPVVHVGNWPDQTAVSSEVTKALASLVDQTAETKRNMYESKGSSAVADDSKLRPVIHCRAGVGRTAQLIGAMCMNDSRNSQLSVEDMVSQMRVQRNGIMVQKDEQLDVLIKLAEGQGRPLLNS
  
Inhibitor
Name:
BDBM50466478
Synonyms:
CHEMBL4288744
Type:
Small organic molecule
Emp. Form.:
C23H15ClF3N3OS
Mol. Mass.:
473.898
SMILES:
FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=N\NC(=S)Nc2cccc3ccccc23)o1
Structure:
Search PDB for entries with ligand similarity: