Target
Adenosine deaminase
Ligand
BDBM50171396
Substrate
n/a
Meas. Tech.
ChEMBL_302877 (CHEMBL828791)
Ki
0.28±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:
BDBM50171396
Synonyms:
1-((R)-4-Amino-pyrazolo[3,4-d]pyrimidin-2-yl)-decan-2-ol | CHEMBL190239
Type:
Small organic molecule
Emp. Form.:
C15H25N5O
Mol. Mass.:
291.3919
SMILES:
CCCCCCCCC(O)Cn1cc2c(N)ncnc2n1
Structure:
Search PDB for entries with ligand similarity: