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Target
Protein-tyrosine-phosphatase
Ligand
BDBM50342236
Substrate
n/a
Meas. Tech.
ChEMBL_743527 (CHEMBL1767968)
IC50
730±n/a nM
Citation
 Bahta, M; Lountos, GT; Dyas, B; Kim, SE; Ulrich, RG; Waugh, DS; Burke, TR Utilization of nitrophenylphosphates and oxime-based ligation for the development of nanomolar affinity inhibitors of the Yersinia pestis outer protein H (YopH) phosphatase. J Med Chem 54:2933-43 (2011) [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:
BDBM50342236
Synonyms:
CHEMBL1766711 | difluoro(4'-(((5-(hydroxymethyl)furan-2-yl)methyleneaminooxy)methyl)biphenyl-3-yl)methylphosphonic acid
Type:
Small organic molecule
Emp. Form.:
C20H18F2NO6P
Mol. Mass.:
437.3306
SMILES:
OCc1ccc(\C=N\OCc2ccc(cc2)-c2cccc(c2)C(F)(F)P(O)(O)=O)o1
Structure:
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