| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 9th, 2004 | 33 | No |
Popular Name: N-[(R)-(5-chloro-8-hydroxy-7-quinolyl)-(4-nitrophenyl)methyl]-2-phenoxy-acetamide N-[(R)-(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) | 4.84 | 10.14 | -20.66 | 2 | 8 | 0 | 117 | 463.877 | 7 | ↓ |
| Hi High (pH 8-9.5) | 5.02 | 7.65 | -41.14 | 1 | 8 | -1 | 124 | 462.869 | 7 | ↓ |
| Hi High (pH 8-9.5) | 4.84 | 10.91 | -52.43 | 1 | 8 | -1 | 120 | 462.869 | 7 | ↓ |
| Lo Low (pH 4.5-6) | 4.84 | 10.45 | -53.31 | 3 | 8 | 1 | 119 | 464.885 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS5-1-E | ADAMTS5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 460 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS5_HUMAN | Q9UNA0 | ADAMTS5, Human | 460 | 0.27 | Binding ≤ 1μM |
| ATS5_HUMAN | Q9UNA0 | ADAMTS5, Human | 460 | 0.27 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix | |
| O-glycosylation of TSR domain-containing proteins |
