| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 24 | No |
Popular Name: Z-Pro-Prolinal Z-Pro-Prolinal
Find On: PubMed — Wikipedia — Google
CAS Number: 86925-97-5
| 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) | 1.74 | 7.94 | -24.16 | 0 | 6 | 0 | 67 | 330.384 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.53e+00 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CELA1-1-E | Elastase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 52 | 0.42 | Binding ≤ 10μM |
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1 | 0.53 | Binding ≤ 10μM |
| PPCE-1-B | Prolyl Endopeptidase (cluster #1 Of 1), Bacterial | Bacteria | 1 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CELA1_HUMAN | Q9UNI1 | Elastase 1, Human | 51.6 | 0.43 | Binding ≤ 1μM |
| PPCE_BOVIN | Q9XTA2 | Prolyl Endopeptidase, Bovin | 0.21 | 0.56 | Binding ≤ 1μM |
| PPCE_MOUSE | Q9QUR6 | Prolyl Endopeptidase, Mouse | 0.35 | 0.55 | Binding ≤ 1μM |
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 1.1 | 0.52 | Binding ≤ 1μM |
| PPCE_FLAME | P27028 | Prolyl Endopeptidase, Flame | 0.5 | 0.54 | Binding ≤ 1μM |
| PPCE_PIG | P23687 | Prolyl Endopeptidase, Pig | 0.33 | 0.55 | Binding ≤ 1μM |
| PPCE_RAT | O70196 | Prolyl Endopeptidase, Rat | 54 | 0.42 | Binding ≤ 1μM |
| CELA1_HUMAN | Q9UNI1 | Elastase 1, Human | 51.6 | 0.43 | Binding ≤ 10μM |
| PPCE_FLAME | P27028 | Prolyl Endopeptidase, Flame | 0.5 | 0.54 | Binding ≤ 10μM |
| PPCE_PIG | P23687 | Prolyl Endopeptidase, Pig | 0.33 | 0.55 | Binding ≤ 10μM |
| PPCE_RAT | O70196 | Prolyl Endopeptidase, Rat | 54 | 0.42 | Binding ≤ 10μM |
| PPCE_BOVIN | Q9XTA2 | Prolyl Endopeptidase, Bovin | 0.21 | 0.56 | Binding ≤ 10μM |
| PPCE_MOUSE | Q9QUR6 | Prolyl Endopeptidase, Mouse | 0.35 | 0.55 | Binding ≤ 10μM |
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 1.1 | 0.52 | Binding ≤ 10μM |
