Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(RP)-adenosine 5'-(alpha-thio-beta,gamma-dichloromethylene)triphosphate | - |
Homo sapiens | |
(RP)-adenosine 5'-(alpha-thio-beta,gamma-methylene)triphosphate | - |
Homo sapiens | |
(SP)-adenosine 5'-(alpha-thio-beta,gamma-dichloromethylene)triphosphate | - |
Homo sapiens | |
(SP)-adenosine 5'-(alpha-thio-beta,gamma-methylene)triphosphate | - |
Homo sapiens | |
8-thioadenosine 5'-triphosphate | - |
Homo sapiens | |
adenosine 5'-(gamma-thio-beta,gamma-methylene)triphosphate | - |
Homo sapiens | |
AMP | product inhibition of NPP1 | Homo sapiens | |
additional information | design and synthesis of highly potent and selective ectonucleotide pyrophosphatase/phosphodiesterase I inhibitors based on an adenosine 5-(alpha or gamma)-thio-(alpha,beta- or beta,gamma)-methylenetriphosphate scaffold, compound configurations analsis by NMR spectroscopy, overview. Analogue 4 is not a good inhibitor. The thiophosphate groups are designed to chelate the tentative Zn2+ ions. Docking od 1-3 into the NPP1 model suggests that activity correlates with the number of H-bonds with binding site residues, overview | Homo sapiens |
Metals/Ions | Comment | Organism | Structure |
---|---|---|---|
Ca2+ | activates | Homo sapiens | |
Mg2+ | activates | Homo sapiens | |
Zn2+ | the catalytic binding site of NPP1 contains two Zn2+ ions | Homo sapiens |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | - |
- |
- |
Source Tissue | Comment | Organism | Textmining |
---|---|---|---|
cartilage | - |
Homo sapiens | - |
chondrocyte | - |
Homo sapiens | - |
osteoblast | - |
Homo sapiens | - |
SAOS-2 cell | - |
Homo sapiens | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
additional information | isozymes NPP1 and NPP3 can hydrolyze ATP, as well as inhibitor molecule 4, they also show very low activity with inhibitors 1 and 2, 1-4% compared to the activit with ATP | Homo sapiens | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
NPP1 | - |
Homo sapiens |
NPP2 | - |
Homo sapiens |
NPP3 | - |
Homo sapiens |
nucleotide pyrophosphatase/phosphodiesterase-1 | - |
Homo sapiens |
nucleotide pyrophosphatase/phosphodiesterase-2 | - |
Homo sapiens |
nucleotide pyrophosphatase/phosphodiesterase-3 | - |
Homo sapiens |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Homo sapiens |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
8.5 | - |
assay at | Homo sapiens |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.00002 | - |
adenosine 5'-(gamma-thio-beta,gamma-methylene)triphosphate | pH 8.5, 37°C, enzyme NPP1 | Homo sapiens | |
0.000685 | - |
(RP)-adenosine 5'-(alpha-thio-beta,gamma-dichloromethylene)triphosphate | pH 8.5, 37°C, enzyme NPP1 | Homo sapiens | |
0.0013 | - |
(SP)-adenosine 5'-(alpha-thio-beta,gamma-methylene)triphosphate | pH 8.5, 37°C, enzyme NPP1 | Homo sapiens | |
0.0045 | - |
(RP)-adenosine 5'-(alpha-thio-beta,gamma-methylene)triphosphate | pH 8.5, 37°C, enzyme NPP1 | Homo sapiens | |
0.0152 | - |
(SP)-adenosine 5'-(alpha-thio-beta,gamma-dichloromethylene)triphosphate | pH 8.5, 37°C, enzyme NPP1 | Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00039 | - |
pH 8.5, 37°C, enzyme NPP1 | Homo sapiens | adenosine 5'-(gamma-thio-beta,gamma-methylene)triphosphate | |
0.0006 | - |
pH 8.5, 37°C, enzyme NPP1 | Homo sapiens | (RP)-adenosine 5'-(alpha-thio-beta,gamma-dichloromethylene)triphosphate | |
0.0163 | - |
pH 8.5, 37°C, enzyme NPP1 | Homo sapiens | (RP)-adenosine 5'-(alpha-thio-beta,gamma-methylene)triphosphate | |
0.0187 | - |
pH 8.5, 37°C, enzyme NPP1 | Homo sapiens | (SP)-adenosine 5'-(alpha-thio-beta,gamma-methylene)triphosphate | |
0.0312 | - |
pH 8.5, 37°C, enzyme NPP1 | Homo sapiens | (SP)-adenosine 5'-(alpha-thio-beta,gamma-dichloromethylene)triphosphate |
General Information | Comment | Organism |
---|---|---|
evolution | the enzymes belongs to the ectonucleotide pyrophosphatase/phosphodiesterase (NPP) family | Homo sapiens |
malfunction | aberrant nucleotide pyrophosphatase/phosphodiesterase-1 (NPP1) activity is associated with chondrocalcinosis, osteoarthritis, and type 2 diabetes | Homo sapiens |