In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2009 | 17 | 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) | 2.82 | 6.88 | -7.36 | 0 | 3 | 0 | 37 | 231.295 | 3 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ELNE-3-E | Neutrophil Elastase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 48 | 0.60 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 48.2 | 0.60 | Binding ≤ 1μM |
ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 48.2 | 0.60 | Binding ≤ 10μM |
Description | Species |
---|---|
Activation of Matrix Metalloproteinases | |
Collagen degradation | |
Degradation of the extracellular matrix |