Reaction Details Report a problem with these data
Target
Bis(5'-adenosyl)-triphosphatase
Ligand
BDBM50350515
Substrate
n/a
Meas. Tech.
ChEMBL_762663 (CHEMBL1817387)
Ki
35±n/a nM
Citation
 Krakowiak, A; Pecherzewska, R; Kaczmarek, R; Tomaszewska, A; Nawrot, B; Stec, WJ Evaluation of influence of Ap4A analogues on Fhit-positive HEK293T cells; cytotoxicity and ability to induce apoptosis. Bioorg Med Chem 19:5053-60 (2011) [PubMed]  Article 
Target
Name:
Bis(5'-adenosyl)-triphosphatase
Synonyms:
AP3A hydrolase | AP3Aase | Bis(5'adenosyl)-triphosphatase | Dinucleosidetriphosphatase | FHIT | FHIT_HUMAN | Fragile histidine triad protein
Type:
Protein
Mol. Mass.:
16861.00
Organism:
Homo sapiens (Human)
Description:
P49789
Residue:
147
Sequence:
MSFRFGQHLIKPSVVFLKTELSFALVNRKPVVPGHVLVCPLRPVERFHDLRPDEVADLFQTTQRVGTVVEKHFHGTSLTFSMQDGPEAGQTVKHVHVHVLPRKAGDFHRNDSIYEELQKHDKEDFPASWRSEEEMAAEAAALRVYFQ
  
Inhibitor
Name:
BDBM50350515
Synonyms:
CHEMBL1812067
Type:
Small organic molecule
Emp. Form.:
C35H49N15O21P4S4
Mol. Mass.:
1268.007
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(S)(=O)OCC(COP(O)(S)=O)(COP(S)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)COP(S)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Structure:
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