Reaction Details Report a problem with these data
Target
Tyrosine-protein phosphatase YopH
Ligand
BDBM50076273
Substrate
n/a
Meas. Tech.
ChEMBL_1991692 (CHEMBL4625427)
Ki
12500±n/a nM
Citation
 de Souza, ACA; Mori, M; Sens, L; Rocha, RF; Tizziani, T; de Souza, LFS; Domeneghini Chiaradia-Delatorre, L; Botta, M; Nunes, RJ; Terenzi, H; Menegatti, ACO A chalcone derivative binds a putative allosteric site of YopH: Inhibition of a virulence factor of Yersinia. Bioorg Med Chem Lett 30:0 (2020) [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:
BDBM50076273
Synonyms:
(2R,3R)-2,3-Bis-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxy]-succinic acid | 1-chicoricacid | CHEMBL282731 | Cichoric acid (CHA) | HIV-1 Integrase Inhibitor | L-chicoric acid | cichoric acid
Type:
Small organic molecule
Emp. Form.:
C22H18O12
Mol. Mass.:
474.3711
SMILES:
OC(=O)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: