Reaction Details Report a problem with these data
Target
Bis(5'-adenosyl)-triphosphatase
Ligand
BDBM81591
Substrate
n/a
Meas. Tech.
Enzyme Inhibition Assay
Ki
2700±0.0 nM
Citation
 Varnum, JM; Baraniak, J; Kaczmarek, R; Stec, WJ; Brenner, C Di-, tri- and tetra-5'-O-phosphorothioadenosyl substituted polyols as inhibitors of Fhit: Importance of the alpha-beta bridging oxygen and beta phosphorus replacement. BMC Chem Biol 1:3 (2001) [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:
BDBM81591
Synonyms:
AppppA analog, 16 (X=S)
Type:
Small organic molecule
Emp. Form.:
C33H43N17O16P3S3
Mol. Mass.:
1122.917
SMILES:
Nc1ncnc2n(cnc12)[C@@H]1OC(COP([O-])(=S)NCC(CNP([S-])(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)OP([S-])(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Structure:
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