| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 28 | Yes |
Popular Name: (3S)-3-[4-[2-(4-chlorophenyl)ethynyl]benzoyl]nonanoic (3S)-3-[4-[2-(4-chlorophenyl)eth…
| 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) | 6.41 | 15.46 | -53.29 | 0 | 3 | -1 | 57 | 395.906 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP12-2-E | Macrophage Metalloelastase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 200 | 0.33 | Binding ≤ 10μM |
| MMP2-2-E | 72 KDa Type IV Collagenase (cluster #2 Of 3), Eukaryotic | Eukaryotes | 550 | 0.31 | Binding ≤ 10μM |
| MMP9-1-E | Matrix Metalloproteinase 9 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1510 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP12_HUMAN | P39900 | Matrix Metalloproteinase 12, Human | 200 | 0.33 | Binding ≤ 1μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 550 | 0.31 | Binding ≤ 1μM |
| MMP12_HUMAN | P39900 | Matrix Metalloproteinase 12, Human | 200 | 0.33 | Binding ≤ 10μM |
| MMP9_HUMAN | P14780 | Matrix Metalloproteinase 9, Human | 1510 | 0.29 | Binding ≤ 10μM |
| MMP2_HUMAN | P08253 | Matrix Metalloproteinase-2, Human | 550 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| EPH-ephrin mediated repulsion of cells | |
| Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-l | |
| Signaling by SCF-KIT |
No pre-computed analogs available. Try a structural similarity search.
