| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 7th, 2009 | 27 | No |
Popular Name: ADAMTS-5 inhibitor ADAMTS-5 inhibitor
Find On: PubMed — Wikipedia — Google
CAS Number: 929634-33-3
| 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) | 4.79 | 7.97 | -45.31 | 0 | 4 | -1 | 54 | 448.924 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 4.33 | 9.09 | -13.22 | 1 | 4 | 0 | 51 | 449.932 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS5-1-E | ADAMTS5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1100 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS5_HUMAN | Q9UNA0 | ADAMTS5, Human | 1100 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix | |
| O-glycosylation of TSR domain-containing proteins |
No pre-computed analogs available. Try a structural similarity search.