| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 25th, 2009 | 32 | No |
Popular Name: (3R)-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]octadecanoic (3R)-3-[[(1S)-2,2-dimethyl-1-(me…
| 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) | 7.60 | 14.08 | -47.35 | 2 | 6 | -1 | 98 | 453.688 | 20 | ↓ |
| Lo Low (pH 4.5-6) | 7.60 | 12.09 | -8.97 | 3 | 6 | 0 | 95 | 454.696 | 20 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP1-2-E | Matrix Metalloproteinase-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8000 | 0.22 | Binding ≤ 10μM |
| MMP2-1-E | 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 90 | 0.31 | Binding ≤ 10μM |
| MMP3-1-E | Matrix Metalloproteinase 3 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 7000 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 90 | 0.31 | Binding ≤ 1μM |
| MMP3_HUMAN | P08254 | Matrix Metalloproteinase 3, Human | 7000 | 0.23 | Binding ≤ 10μM |
| MMP1_HUMAN | P03956 | Matrix Metalloproteinase-1, Human | 8000 | 0.22 | Binding ≤ 10μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 90 | 0.31 | 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 | |
| EPH-ephrin mediated repulsion of cells | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l |
