| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 17th, 2007 | 20 | Yes |
Popular Name: (1-hydroxy-5-isoquinolyl) (1-hydroxy-5-isoquinolyl)
| 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) | 3.32 | 7.92 | -13.07 | 1 | 4 | 0 | 59 | 265.268 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP1-2-E | Poly [ADP-ribose] Polymerase 1 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 4100 | 0.38 | Binding ≤ 10μM |
| PARP2-1-E | Poly [ADP-ribose] Polymerase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PARP1_HUMAN | P09874 | Poly [ADP-ribose] Polymerase-1, Human | 4100 | 0.38 | Binding ≤ 10μM |
| PARP2_MOUSE | O88554 | Poly [ADP-ribose] Polymerase-2, Mouse | 1500 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Downregulation of SMAD2/3:SMAD4 transcriptional activity |
