| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2005 | 24 | Yes |
Popular Name: 4-(4-methylphenoxy)-N-(4-pyridinylmethyl)benzenecarboxamide 4-(4-methylphenoxy)-N-(4-pyridin…
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CAS Number: 866153-56-2
| 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) | 3.44 | 8.46 | -9.66 | 1 | 4 | 0 | 51 | 318.376 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 8.92 | -44.04 | 2 | 4 | 1 | 52 | 319.384 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP13-1-E | Matrix Metalloproteinase 13 (cluster #1 Of 4), Eukaryotic | Eukaryotes | 10000 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 10000 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Collagen degradation | |
| Degradation of the extracellular matrix |
