| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 31 | Yes |
Popular Name: N-[(S)-(5-chloro-8-hydroxy-7-quinolyl)-(4-chlorophenyl)methyl]-2-phenoxy-acetamide N-[(S)-(5-chloro-8-hydroxy-7-qui…
| 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) | 5.55 | 9.97 | -17.35 | 2 | 5 | 0 | 71 | 453.325 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.55 | 10.72 | -56.91 | 1 | 5 | -1 | 74 | 452.317 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.74 | 7.51 | -42.89 | 1 | 5 | -1 | 78 | 452.317 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS5-1-E | ADAMTS5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 830 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS5_HUMAN | Q9UNA0 | ADAMTS5, Human | 830 | 0.27 | Binding ≤ 1μM |
| ATS5_HUMAN | Q9UNA0 | ADAMTS5, Human | 830 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix | |
| O-glycosylation of TSR domain-containing proteins |
