| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 32 | Yes |
Popular Name: 1,6-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]hexane-1,6-dione 1,6-bis[(2S)-2-(pyrrolidine-1-ca…
| 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) | 0.85 | 11.2 | -32.03 | 0 | 8 | 0 | 81 | 446.592 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 68 | 0.31 | Binding ≤ 10μM |
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 68 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 68 | 0.31 | Binding ≤ 1μM |
| PPCE_PIG | P23687 | Prolyl Endopeptidase, Pig | 68 | 0.31 | Binding ≤ 1μM |
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 68 | 0.31 | Binding ≤ 10μM |
| PPCE_PIG | P23687 | Prolyl Endopeptidase, Pig | 68 | 0.31 | Binding ≤ 10μM |
