| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 22 | Yes |
Popular Name: (3S)-3-(2-amino-4-oxo-3,5-dihydropyrrolo[4,5-d]pyrimidin-7-yl)-3-phenyl-propanoic (3S)-3-(2-amino-4-oxo-3,5-dihydr…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.81 | 5.76 | -55.87 | 4 | 7 | -1 | 128 | 297.294 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.81 | 3.77 | -17.21 | 5 | 7 | 0 | 125 | 298.302 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH-1-E | Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 46.8 | 0.47 | Binding ≤ 1μM |
| PNPH_HUMAN | P00491 | Purine Nucleoside Phosphorylase, Human | 13 | 0.50 | Binding ≤ 1μM |
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 46.8 | 0.47 | Binding ≤ 10μM |
| PNPH_HUMAN | P00491 | Purine Nucleoside Phosphorylase, Human | 13 | 0.50 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine catabolism | |
| Purine salvage |
![3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/40242.gif)
![7-benzyl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one](http://zinc12.docking.org/img/rings/228434.gif)
