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Target
Tyrosine-protein phosphatase YopH
Ligand
BDBM42150
Substrate
n/a
Meas. Tech.
YopH - IC50 determinations (10 point dose range)
IC50
>50000±n/a nM
Citation
 PubChem, PC YopH - IC50 determinations (10 point dose range) PubChem Bioassay (2008)[AID] 
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:
BDBM42150
Synonyms:
2-[[4-(2-methoxyphenyl)-5-[(m-toluoylamino)methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester | 2-[[4-(2-methoxyphenyl)-5-[[[(3-methylphenyl)-oxomethyl]amino]methyl]-1,2,4-triazol-3-yl]thio]acetic acid methyl ester | MLS000087577 | SMR000023799 | cid_2159436 | methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylbenzoyl)amino]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetate | methyl 2-[[4-(2-methoxyphenyl)-5-[[(3-methylphenyl)carbonylamino]methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanoate | methyl [(4-(2-methoxyphenyl)-5-{[(3-methylbenzoyl)amino]methyl}-4H-1,2,4-triazol-3-yl)thio]acetate
Type:
Small organic molecule
Emp. Form.:
C21H22N4O4S
Mol. Mass.:
426.489
SMILES:
COC(=O)CSc1nnc(CNC(=O)c2cccc(C)c2)n1-c1ccccc1OC |(20.08,.82,;18.62,1.3,;17.47,.27,;17.79,-1.24,;16.01,.74,;14.86,-.29,;13.4,.19,;12.92,1.65,;11.38,1.65,;10.91,.19,;9.44,-.29,;8.3,.74,;6.83,.27,;6.51,-1.24,;5.69,1.3,;4.22,.82,;3.08,1.85,;3.4,3.36,;4.86,3.83,;5.19,5.34,;6.01,2.8,;12.15,-.72,;12.15,-2.26,;13.49,-3.03,;13.49,-4.57,;12.15,-5.34,;10.82,-4.57,;10.82,-3.03,;9.49,-2.26,;8.15,-3.03,)|
Structure:
Search PDB for entries with ligand similarity: