| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 22 | Yes |
Popular Name: (S)-Benzyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate (S)-Benzyl 2-(pyrrolidine-1-carb…
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CAS Numbers: 50888-84-1 , [50888-84-1]
Benzyl (s)-(-)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinecarboxylate
Benzyl(S)-2-(1-pyrrolidinylcarbonyl)-1-pyrrolidinecarboxylate
| 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) | 1.93 | -0.24 | -17.46 | 0 | 5 | 0 | 49 | 302.374 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 86 | 0.45 | Binding ≤ 10μM |
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2100 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 600 | 0.40 | Binding ≤ 1μM |
| PPCE_BOVIN | Q9XTA2 | Prolyl Endopeptidase, Bovin | 2100 | 0.36 | Binding ≤ 10μM |
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 600 | 0.40 | Binding ≤ 10μM |
