| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 22nd, 2010 | 21 | Yes |
Popular Name: (2S,3R,4S,5R)-2-(2,8-diamino-6-hydroxy-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (2S,3R,4S,5R)-2-(2,8-diamino-6-h…
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| 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) | -2.21 | -5.38 | -24.79 | 8 | 11 | 0 | 186 | 298.259 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH-1-E | Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7000 | 0.34 | Binding ≤ 10μM |
| PNPH-1-E | Purine Nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1330 | 0.39 | Functional ≤ 10μM |
| Z80285-1-O | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) (cluster #1 Of 4), Other | Other | 3250 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PNPH_HUMAN | P00491 | Purine Nucleoside Phosphorylase, Human | 1400 | 0.39 | Binding ≤ 10μM |
| Z80285 | Z80285 | MOLT-4 (Acute T-lymphoblastic Leukemia Cells) | 3250 | 0.37 | Functional ≤ 10μM |
| PNPH_HUMAN | P00491 | Purine Nucleoside Phosphorylase, Human | 1330 | 0.39 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Purine catabolism | |
| Purine salvage |
