Reaction Details Report a problem with these data
Target
Exopolyphosphatase PRUNE1
Ligand
BDBM50391180
Substrate
n/a
Meas. Tech.
ChEMBL_840282 (CHEMBL2091190)
IC50
210±n/a nM
Citation
 Virgilio, A; Spano, D; Esposito, V; Di Dato, V; Citarella, G; Marino, N; Maffia, V; De Martino, D; De Antonellis, P; Galeone, A; Zollo, M Novel pyrimidopyrimidine derivatives for inhibition of cellular proliferation and motility induced by h-prune in breast cancer. Eur J Med Chem 57:41-50 (2012) [PubMed]  Article 
Target
Name:
Exopolyphosphatase PRUNE1
Synonyms:
DRES-17 | DRES17 | Drosophila-related expressed sequence 17 | HTcD37 | PRUN1_HUMAN | PRUNE | PRUNE1 | Protein prune homolog | hPrune
Type:
PROTEIN
Mol. Mass.:
50187.97
Organism:
Homo sapiens (Human)
Description:
ChEMBL_840282
Residue:
453
Sequence:
MEDYLQGCRAALQESRPLHVVLGNEACDLDSTVSALALAFYLAKTTEAEEVFVPVLNIKRSELPLRGDIVFFLQKVHIPESILIFRDEIDLHALYQAGQLTLILVDHHILSKSDTALEEAVAEVLDHRPIEPKHCPPCHVSVELVGSCATLVTERILQGAPEILDRQTAALLHGTIILDCVNMDLKIGKATPKDSKYVEKLEALFPDLPKRNDIFDSLQKAKFDVSGLTTEQMLRKDQKTIYRQGVKVAISAIYMDLEAFLQRSNLLADLHAFCQAHSYDVLVAMTIFFNTHNEPVRQLAIFCPHVALQTTICEVLERSHSPPLKLTPASSTHPNLHAYLQGNTQVSRKKLLPLLQEALSAYFDSMKIPSGQPETADVSREQVDKELDRASNSLISGLSQDEEDPPLPPTPMNSLVDECPLDQGLPKLSAEAVFEKCSQISLSQSTTASLSKK
  
Inhibitor
Name:
BDBM50391180
Synonyms:
CHEMBL348601
Type:
Small organic molecule
Emp. Form.:
C30H40N8O6
Mol. Mass.:
608.6886
SMILES:
COc1ccc(CNc2nc(nc3c(NCc4ccc(OC)cc4)nc(nc23)N(CCO)CCO)N(CCO)CCO)cc1
Structure:
Search PDB for entries with ligand similarity: