Reaction Details Report a problem with these data
Target
M-phase inducer phosphatase 1
Ligand
BDBM50253622
Substrate
n/a
Meas. Tech.
ChEMBL_510971 (CHEMBL1003158)
IC50
820±n/a nM
Citation
 Park, H; Bahn, YJ; Jung, SK; Jeong, DG; Lee, SH; Seo, I; Yoon, TS; Kim, SJ; Ryu, SE Discovery of novel Cdc25 phosphatase inhibitors with micromolar activity based on the structure-based virtual screening. J Med Chem 51:5533-41 (2008) [PubMed]  Article 
Target
Name:
M-phase inducer phosphatase 1
Synonyms:
CDC25A | Dual specificity phosphatase (Cdc25A) | Dual specificity phosphatase Cdc25A | M-phase inducer phosphatase 1 | MPIP1_HUMAN | phosphatase Cdc25
Type:
Protein
Mol. Mass.:
59090.18
Organism:
Homo sapiens (Human)
Description:
P30304
Residue:
524
Sequence:
MELGPEPPHRRRLLFACSPPPASQPVVKALFGASAAGGLSPVTNLTVTMDQLQGLGSDYEQPLEVKNNSNLQRMGSSESTDSGFCLDSPGPLDSKENLENPMRRIHSLPQKLLGCSPALKRSHSDSLDHDIFQLIDPDENKENEAFEFKKPVRPVSRGCLHSHGLQEGKDLFTQRQNSAPARMLSSNERDSSEPGNFIPLFTPQSPVTATLSDEDDGFVDLLDGENLKNEEETPSCMASLWTAPLVMRTTNLDNRCKLFDSPSLCSSSTRSVLKRPERSQEESPPGSTKRRKSMSGASPKESTNPEKAHETLHQSLSLASSPKGTIENILDNDPRDLIGDFSKGYLFHTVAGKHQDLKYISPEIMASVLNGKFANLIKEFVIIDCRYPYEYEGGHIKGAVNLHMEEEVEDFLLKKPIVPTDGKRVIVVFHCEFSSERGPRMCRYVRERDRLGNEYPKLHYPELYVLKGGYKEFFMKCQSYCEPPSYRPMHHEDFKEDLKKFRTKSRTWAGEKSKREMYSRLKKL
  
Inhibitor
Name:
BDBM50253622
Synonyms:
2-[4-(4-chlorophenyl)-5-p-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-(3,4-dihydroxyphenyl)ethanone | CHEMBL459929 | cid_1383304
Type:
Small organic molecule
Emp. Form.:
C23H18ClN3O3S
Mol. Mass.:
451.925
SMILES:
Cc1ccc(cc1)-c1nnc(SCC(=O)c2ccc(O)c(O)c2)n1-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: