Reaction Details Report a problem with these data
Target
Dual specificity protein phosphatase 3
Ligand
BDBM50031906
Substrate
n/a
Meas. Tech.
ChEMBL_1438613 (CHEMBL3386718)
IC50
7600±n/a nM
Citation
 Hou, X; Li, R; Li, K; Yu, X; Sun, JP; Fang, H Fast identification of novel lymphoid tyrosine phosphatase inhibitors using target-ligand interaction-based virtual screening. J Med Chem 57:9309-22 (2014) [PubMed]  Article 
Target
Name:
Dual specificity protein phosphatase 3
Synonyms:
DUS3_HUMAN | DUSP3 | Dual specificity protein phosphatase (VHR) | Dual specificity protein phosphatase 3 | Dual specificity protein phosphatase VHR | Protein Tyrosine Phosphatase VHR | Tyrosine-protein phosphatase non-receptor type 1 | VHR
Type:
Hydrolase
Mol. Mass.:
20480.58
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
185
Sequence:
MSGSFELSVQDLNDLLSDGSGCYSLPSQPCNEVTPRIYVGNASVAQDIPKLQKLGITHVLNAAEGRSFMHVNTNANFYKDSGITYLGIKANDTQEFNLSAYFERAADFIDQALAQKNGRVLVHCREGYSRSPTLVIAYLMMRQKMDVKSALSIVRQNREIGPNDGFLAQLCQLNDRLAKEGKLKP
  
Inhibitor
Name:
BDBM50031906
Synonyms:
CHEMBL3360905
Type:
Small organic molecule
Emp. Form.:
C33H31N3O6S
Mol. Mass.:
597.681
SMILES:
CCOC(=O)C1=C(C)N=c2s\c(=C\c3ccc(OCc4ccc(cc4)C(O)=O)cc3)c(=O)n2C1c1ccc(cc1)N(C)C |c:5,t:8|
Structure:
Search PDB for entries with ligand similarity: