| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 26 | Yes |
Popular Name: 3-[5-benzoyl-2-(2,2-dimethylpropanoyloxy)phenyl]propanoic 3-[5-benzoyl-2-(2,2-dimethylprop…
| 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) | 4.31 | 12.1 | -56.41 | 0 | 5 | -1 | 84 | 353.394 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE-1-E | Neutrophil Elastase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 170 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 170 | 0.36 | Binding ≤ 1μM |
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 170 | 0.36 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Collagen degradation | |
| Degradation of the extracellular matrix |
