| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 2nd, 2009 | 24 | Yes |
Popular Name: (2R)-3-methyl-2-[methyl-(4-phenylphenyl)sulfonyl-amino]butanoic (2R)-3-methyl-2-[methyl-(4-pheny…
| 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) | 1.94 | 8.41 | -52.66 | 0 | 5 | -1 | 78 | 346.428 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS4-1-E | ADAMTS4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1600 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ATS4_HUMAN | O75173 | ADAMTS4, Human | 1600 | 0.34 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Degradation of the extracellular matrix | |
| O-glycosylation of TSR domain-containing proteins |
