Target
Protein-tyrosine-phosphatase
Ligand
BDBM50326499
Substrate
n/a
Meas. Tech.
ChEMBL_658096 (CHEMBL1249161)
IC50
90±n/a nM
Citation
 Comeau, ABCritton, DAPage, RSeto, CT A focused library of protein tyrosine phosphatase inhibitors. J Med Chem 53:6768-72 (2010) [PubMed]  Article 
Target
Name:
Protein-tyrosine-phosphatase
Synonyms:
Secreted effector protein | Secreted protein-tyrosine phosphatase
Type:
PROTEIN
Mol. Mass.:
50881.86
Organism:
Yersinia pestis
Description:
ChEMBL_810616
Residue:
468
Sequence:
MNLSLSDLHRQVSRLVQQESGDCTGKLRGNVAANKETTFQGLTIASGARESEKVFAQTVLSHVANVVLTQEDTAKLLQSTVKHNLNNYDLRSVGNGNSVLVSLRSDQMTLQDAKVLLEAALRQESGARGHVSSHSHSALHAPGTPVREGLRSHLDPRTPPLPPRERPHTSGHHGAGEARATAPSTVSPYGPEARAELSSRLTTLRNTLAPATNDPRYLQACGGEKLNRFRDIQCCRQTAVRADLNANYIQVGNTRTIACQYPLQSQLESHFRMLAENRTPVLAVLASSSEIANQRFGMPDYFRQSGTYGSITVESKMTQQVGLGDGIMADMYTLTIREAGQKTISVPVVHVGNWPDQTAVSSEVTKALASLVDQTAETKRNMYESKGSSAVGDDSKLRPVIHCRAGVGRTAQLIGAMCMNDSRNSQLSVEDMVSQMRVQRNGIMVQKDEQLDVLIKLAEGQGRPLLNS
  
Inhibitor
Name:
BDBM50326499
Synonyms:
4, 4'-[[2-[[(4-(4-n-Hexyl)phenoxyphenyl)amino]carbonyl]-1, 4-phenylene]bis(methyleneoxy)]bis [a-oxobenzeneacetic acid] | CHEMBL1240791
Type:
Small organic molecule
Emp. Form.:
C43H39NO10
Mol. Mass.:
729.7705
SMILES:
CCCCCCc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1
Structure:
Search PDB for entries with ligand similarity: