| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 36 | No |
| 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) | -0.06 | 10.86 | -51.67 | 0 | 9 | 0 | 98 | 494.592 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.35 | Binding ≤ 10μM |
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 1.3 | 0.35 | Binding ≤ 1μM |
| PPCE_PIG | P23687 | Prolyl Endopeptidase, Pig | 1.3 | 0.35 | Binding ≤ 1μM |
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 1.3 | 0.35 | Binding ≤ 10μM |
| PPCE_PIG | P23687 | Prolyl Endopeptidase, Pig | 1.3 | 0.35 | Binding ≤ 10μM |
