Target
Adenosine deaminase
Ligand
BDBM50171394
Substrate
n/a
Meas. Tech.
ChEMBL_302877 (CHEMBL828791)
Ki
0.13±n/a nM
Citation
 Da Settimo, FPrimofiore, GLa Motta, CTaliani, SSimorini, FMarini, AMMugnaini, LLavecchia, ANovellino, ETuscano, DMartini, C Novel, highly potent adenosine deaminase inhibitors containing the pyrazolo[3,4-d]pyrimidine ring system. Synthesis, structure-activity relationships, and molecular modeling studies. J Med Chem 48:5162-74 (2005) [PubMed]  Article 
Target
Name:
Adenosine deaminase
Synonyms:
ADA | ADA_BOVIN | Adenosine aminohydrolase
Type:
Enzyme
Mol. Mass.:
40910.44
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
363
Sequence:
MAQTPAFNKPKVELHVHLDGAIKPETILYYGRKRGIALPADTPEELQNIIGMDKPLSLPEFLAKFDYYMPAIAGCREAVKRIAYEFVEMKAKDGVVYVEVRYSPHLLANSKVEPIPWNQAEGDLTPDEVVSLVNQGLQEGERDFGVKVRSILCCMRHQPSWSSEVVELCKKYREQTVVAIDLAGDETIEGSSLFPGHVKAYAEAVKSGVHRTVHAGEVGSANVVKEAVDTLKTERLGHGYHTLEDATLYNRLRQENMHFEVCPWSSYLTGAWKPDTEHPVVRFKNDQVNYSLNTDDPLIFKSTLDTDYQMTKNEMGFTEEEFKRLNINAAKSSFLPEDEKKELLDLLYKAYGMPSPASAEQCL
  
Inhibitor
Name:
BDBM50171394
Synonyms:
2-Decyl-2H-pyrazolo[3,4-d]pyrimidin-4-ylamine | CHEMBL363042
Type:
Small organic molecule
Emp. Form.:
C15H25N5
Mol. Mass.:
275.3925
SMILES:
CCCCCCCCCCn1cc2c(N)ncnc2n1
Structure:
Search PDB for entries with ligand similarity: