| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 15th, 2009 | 34 | Yes |
| 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) | 2.54 | 6.93 | -51.03 | 6 | 8 | 1 | 124 | 469.606 | 12 | ↓ |
| Hi High (pH 8-9.5) | 2.54 | 6.54 | -16.76 | 5 | 8 | 0 | 123 | 468.598 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP1-2-E | Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1200 | 0.24 | Binding ≤ 10μM |
| MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 230 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 230 | 0.27 | Binding ≤ 1μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 230 | 0.27 | Binding ≤ 10μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 1200 | 0.24 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Basigin interactions | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| EGFR Transactivation by Gastrin | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l |
