| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 22 | Yes |
Popular Name: benzyl benzyl
| 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) | 1.50 | 9.03 | -13.71 | 0 | 5 | 0 | 56 | 301.342 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CTRA-3-E | Alpha-chymotrypsin (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4860 | 0.34 | Binding ≤ 10μM |
| ELNE-2-E | Neutrophil Elastase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 74 | 0.45 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 74 | 0.45 | Binding ≤ 1μM |
| CTRA_BOVIN | P00766 | Alpha-chymotrypsin, Bovin | 4860 | 0.34 | Binding ≤ 10μM |
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 74 | 0.45 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Collagen degradation | |
| Degradation of the extracellular matrix |
