| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 26 | Yes |
Popular Name: (2R)-3-(3,4-dichlorophenyl)-2-(naphthalene-2-carbonylamino)propanoic (2R)-3-(3,4-dichlorophenyl)-2-(n…
| 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) | 3.18 | 11.79 | -55.56 | 1 | 4 | -1 | 69 | 387.242 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIN1-1-E | Peptidyl-prolyl Cis-trans Isomerase NIMA-interacting 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2200 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIN1_HUMAN | Q13526 | Peptidyl-prolyl Cis-trans Isomerase NIMA-interacting 1, Human | 2200 | 0.30 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ISG15 antiviral mechanism | |
| Negative regulators of RIG-I/MDA5 signaling |
