| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 27 | No |
Popular Name: BRD-A38898897-003-01-0 BRD-A38898897-003-01-0
Find On: PubMed — Wikipedia — Google
CAS Number: 197090-44-1; 198062-54-3
| 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) | 2.06 | -3.02 | -56 | 1 | 7 | 1 | 79 | 398.549 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5994344; US6057457; WO1997036903A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CTRA-3-E | Alpha-chymotrypsin (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4200 | 0.28 | Binding ≤ 10μM |
| ELNE-2-E | Neutrophil Elastase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 670 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 0.31 | 0.49 | Binding ≤ 1μM |
| CTRA_BOVIN | P00766 | Alpha-chymotrypsin, Bovin | 4200 | 0.28 | Binding ≤ 10μM |
| ELNE_HUMAN | P08246 | Leukocyte Elastase, Human | 0.31 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Collagen degradation | |
| Degradation of the extracellular matrix |
