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Literature summary for 3.5.4.4 extracted from

  • Da Settimo, F.; Primofiore, G.; La Motta, C.; Taliani, S.; Simorini, F.; Marini, A.M.; 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 (2005), J. Med. Chem., 48, 5162-5174.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(S)-(-)-epoxydecane
-
Bos taurus
1-(hydroxymethyl)nonyl methanesulfonate
-
Bos taurus
1-(tert-butyldimethylsilanyloxy)-decan-2-ol
-
Bos taurus
1-(tert-butyldimethylsilanyloxymethyl)nonyl methanesulfonate
-
Bos taurus
1-alkyl-3-amino-4-pyrazolecarbonitriles
-
Bos taurus
1-alkyl-4-aminopyrazolo[3,4d]pyrimidines
-
Bos taurus
2-alkyl-4-aminopyrazolo[3,4d]pyrimidines
-
Bos taurus
3-amino-1-(2-hydroxy-3-nonyl)4-pyrazolecarbonitrile
-
Bos taurus
3-amino-1-(2-keto-3-nonyl)4-pyrazolecarbonitrile
-
Bos taurus
3-amino-1-beta-hydroxyalkyl-4-pyrazolecarbonitriles
-
Bos taurus
4-acetylamino-2-decylpyrazolo[3,4d]pyrimidine
-
Bos taurus
4-amino-1-(2-hydroxy-3-nonyl)pyrazolo[3,4d]pyrimidine
-
Bos taurus
4-amino-1-(beta-hydroxyethyl)pyrazolo[3,4d]pyrimidine
-
Bos taurus
4-amino-1-(beta-hydroxyoctyl)pyrazolo[3,4d]pyrimidine
-
Bos taurus
4-amino-2-decyl-6-phenylpyrazolo[3,4d]pyrimidine
-
Bos taurus
erythro-9-(2-hydroxy-3-nonyl)adenine
-
Bos taurus
additional information molecular dynamic simulations of inhibitor-enzyme interaction, overview Bos taurus

Metals/Ions

Metals/Ions Comment Organism Structure
Zn2+ coordinated by His15, His17, His214, and Asp295 Bos taurus

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
adenosine + H2O Bos taurus
-
inosine + NH3
-
?

Organism

Organism UniProt Comment Textmining
Bos taurus
-
-
-

Reaction

Reaction Comment Organism Reaction ID
adenosine + H2O = inosine + NH3 structure-activity relationships Bos taurus

Source Tissue

Source Tissue Comment Organism Textmining
commercial preparation from spleen Bos taurus
-
spleen
-
Bos taurus
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
adenosine + H2O
-
Bos taurus inosine + NH3
-
?

Subunits

Subunits Comment Organism
More structure-activity relationships Bos taurus

Synonyms

Synonyms Comment Organism
ADA
-
Bos taurus

Temperature Optimum [°C]

Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
30
-
assay at Bos taurus

pH Optimum

pH Optimum Minimum pH Optimum Maximum Comment Organism
7.2
-
assay at Bos taurus

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.00000114
-
erythro-9-(2-hydroxy-3-nonyl)adenine pH 7.2, 30°C Bos taurus
0.000066
-
4-amino-1-(2-hydroxy-3-nonyl)pyrazolo[3,4d]pyrimidine pH 7.2, 30°C Bos taurus
0.00462
-
4-amino-1-(beta-hydroxyethyl)pyrazolo[3,4d]pyrimidine pH 7.2, 30°C Bos taurus