| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 27th, 2010 | 17 | No |
Popular Name: 3,3-Diethyl-1-(6-methyl-3-pyridinyl)- 2,4-azetidinedione 3,3-Diethyl-1-(6-methyl-3-pyridi…
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CAS Number: 1198107-93-5
| 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) | 1.35 | 5.02 | -7.42 | 0 | 4 | 0 | 50 | 232.283 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE-3-E | Neutrophil Elastase (cluster #3 Of 3), Eukaryotic | Eukaryotes | 1 | 0.74 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 1.3 | 0.73 | Binding ≤ 1μM |
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 1.3 | 0.73 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Collagen degradation | |
| Degradation of the extracellular matrix |
No pre-computed analogs available. Try a structural similarity search.