Reaction Details Report a problem with these data
Target
Adenosine deaminase
Ligand
BDBM50171388
Substrate
n/a
Meas. Tech.
ChEMBL_302877 (CHEMBL828791)
Ki
66.10±n/a nM
Citation
 Da Settimo, F; Primofiore, G; La Motta, C; Taliani, S; Simorini, F; Marini, AM; Mugnaini, L; Lavecchia, A; Novellino, E; Tuscano, D; Martini, 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:
BDBM50171388
Synonyms:
3-(4-Amino-3a,7a-dihydro-pyrazolo[3,4-d]pyrimidin-1-yl)-nonan-2-ol | CHEMBL193289
Type:
Small organic molecule
Emp. Form.:
C14H25N5O
Mol. Mass.:
279.3812
SMILES:
CCCCCCC(C(C)O)N1N=CC2C1N=CN=C2N |c:11,16,18|
Structure:
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