| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 31 | No |
Popular Name: (2R)-2-[benzyl-(4-methoxyphenyl)sulfonyl-amino]-6-dimethylamino-hexanehydroxamic (2R)-2-[benzyl-(4-methoxyphenyl)…
None
| 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) | 2.56 | 7.33 | -52.97 | 3 | 8 | 1 | 100 | 450.581 | 12 | ↓ |
| Hi High (pH 8-9.5) | 2.74 | 5.93 | -84.73 | 2 | 8 | 0 | 107 | 449.573 | 12 | ↓ |
| Hi High (pH 8-9.5) | 2.56 | 8.54 | -79.69 | 2 | 8 | 0 | 103 | 449.573 | 12 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5455258; US5552419; US5646167; WO1996040101A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 69 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 69 | 0.32 | Binding ≤ 1μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 69 | 0.32 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| EGFR Transactivation by Gastrin |
