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Target
Protein-tyrosine-phosphatase
Ligand
BDBM50170981
Substrate
n/a
Meas. Tech.
ChEMBL_305615 (CHEMBL828153)
IC50
>100000±n/a nM
Citation
 Lee, K; Boovanahalli, SK; Nam, KY; Kang, SU; Lee, M; Phan, J; Wu, L; Waugh, DS; Zhang, ZY; No, KT; Lee, JJ; Burke, TR Synthesis of tripeptides as potent Yersinia protein tyrosine phosphatase inhibitors. Bioorg Med Chem Lett 15:4037-42 (2005) [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:
BDBM50170981
Synonyms:
(S)-4-[(S)-4-(R)-Carbamoyl-1-(4-carboxymethoxy-benzyl)-6-methyl-2-oxo-heptylcarbamoyl]-4-{2-[2-(4-methoxy-benzyl)-2H-tetrazol-5-yl]-acetylamino}-butyric acid benzyl ester | CHEMBL361611
Type:
Small organic molecule
Emp. Form.:
C41H49N7O10
Mol. Mass.:
799.8687
SMILES:
COc1ccc(Cn2nnc(CC(=O)N[C@@H](CCC(=O)OCc3ccccc3)C(=O)N[C@@H](Cc3ccc(OCC(O)=O)cc3)C(=O)C[C@@H](CC(C)C)C(N)=O)n2)cc1
Structure:
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