| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 22 | Yes |
Popular Name: 3-(4-amino-2-oxo-3,5,9-triazabicyclo[4.3.0]nona-4,7,10-trien-7-yl)-3-phenyl-propanoic 3-(4-amino-2-oxo-3,5,9-triazabic…
| 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 | -3.64 | -58.44 | 4 | 7 | -1 | 127 | 297.294 | 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_HUMAN | P00491 | Purine Nucleoside Phosphorylase, Human | 13 | 0.50 | Binding ≤ 10μM |
| PNPH_BOVIN | P55859 | Purine Nucleoside Phosphorylase, Bovin | 46.8 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Purine catabolism | |
| Purine salvage |
