| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 42 | 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) | 2.07 | 4.26 | -22.37 | 4 | 12 | 0 | 182 | 597.694 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE-2-E | Neutrophil Elastase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 1 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 1.3 | 0.30 | Binding ≤ 1μM |
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 1.3 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Collagen degradation | |
| Degradation of the extracellular matrix |
![N-[2-(1,3-benzoxazol-2-yl)-2-keto-ethyl]-1-hippuroyl-pyrrolidine-2-carboxamide](http://zinc12.docking.org/img/rings/11466.gif)
