| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 5th, 2005 | 25 | Yes |
Popular Name: DNC009408 DNC009408
| 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) | 0.36 | 7.1 | -111.2 | 1 | 7 | -2 | 126 | 361.375 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 0.36 | 5.13 | -57.9 | 2 | 7 | -1 | 124 | 362.383 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS4-1-E | ADAMTS4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1100 | 0.33 | Binding ≤ 10μM |
| MMP13-4-E | Matrix Metalloproteinase 13 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 280 | 0.37 | Binding ≤ 10μM |
| MMP8-3-E | Matrix Metalloproteinase 8 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 1024 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 280 | 0.37 | Binding ≤ 1μM |
| ATS4_HUMAN | O75173 | ADAMTS4, Human | 1100 | 0.33 | Binding ≤ 10μM |
| MMP13_HUMAN | P45452 | Matrix Metalloproteinase 13, Human | 2100 | 0.32 | Binding ≤ 10μM |
| MMP8_HUMAN | P22894 | Matrix Metalloproteinase 8, Human | 1024 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of Matrix Metalloproteinases | |
| Assembly of collagen fibrils and other multimeric structures | |
| Collagen degradation | |
| Degradation of the extracellular matrix | |
| O-glycosylation of TSR domain-containing proteins |
