| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 28 | 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) | 4.05 | 10.25 | -14.47 | 1 | 4 | 0 | 49 | 386.58 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 3BHS1-2-E | 3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type I (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1500 | 0.29 | Binding ≤ 10μM |
| 3BHS2-1-E | 3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1500 | 0.29 | Binding ≤ 10μM |
| S5A1-1-E | Steroid 5-alpha-reductase 1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.30 | Binding ≤ 10μM |
| S5A2-1-E | Steroid 5-alpha-reductase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S5A1_HUMAN | P18405 | Steroid 5-alpha-reductase 1, Human | 1000 | 0.30 | Binding ≤ 1μM |
| S5A2_HUMAN | P31213 | Steroid 5-alpha-reductase 2, Human | 3.8 | 0.42 | Binding ≤ 1μM |
| 3BHS1_HUMAN | P14060 | 3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type I, Human | 1500 | 0.29 | Binding ≤ 10μM |
| 3BHS2_HUMAN | P26439 | 3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type II, Human | 1500 | 0.29 | Binding ≤ 10μM |
| S5A1_HUMAN | P18405 | Steroid 5-alpha-reductase 1, Human | 1000 | 0.30 | Binding ≤ 10μM |
| S5A2_HUMAN | P31213 | Steroid 5-alpha-reductase 2, Human | 3.8 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Glucocorticoid biosynthesis | |
| Mineralocorticoid biosynthesis |
