| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 25 | No |
| 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) | 5.65 | 12.98 | -8.83 | 0 | 2 | 0 | 26 | 338.491 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AK1C3-1-E | Aldo-keto-reductase Family 1 Member C3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.46 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| AK1C3_HUMAN | P42330 | Aldo-keto-reductase Family 1 Member C3, Human | 6.1 | 0.46 | Binding ≤ 1μM |
| AK1C3_HUMAN | P42330 | Aldo-keto-reductase Family 1 Member C3, Human | 6.1 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Retinoid metabolism and transport | |
| Synthesis of bile acids and bile salts via 24-hydroxycholesterol | |
| Synthesis of bile acids and bile salts via 27-hydroxycholesterol | |
| Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol | |
| Synthesis of Prostaglandins (PG) and Thromboxanes (TX) |
