| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 17 | Yes |
Popular Name: 2-phenyl-1H-imidazole-4,5-dicarboxylic acid; 888-60-8; nsc4623 2-phenyl-1H-imidazole-4,5-dicarb…
| 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) | 1.67 | 6.36 | -132.07 | 1 | 6 | -2 | 109 | 230.179 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.67 | 6.79 | -73.54 | 2 | 6 | -1 | 110 | 231.187 | 3 | ↓ |
| 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 | 1700 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIN1_HUMAN | Q13526 | Peptidyl-prolyl Cis-trans Isomerase NIMA-interacting 1, Human | 1460 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ISG15 antiviral mechanism | |
| Negative regulators of RIG-I/MDA5 signaling |
