| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 7th, 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) | 4.07 | 10.6 | -13.67 | 0 | 4 | 0 | 41 | 388.596 | 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 | 20 | 0.38 | Binding ≤ 10μM |
| 3BHS2-1-E | 3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type II (cluster #1 Of 1), Eukaryotic | Eukaryotes | 20 | 0.38 | Binding ≤ 10μM |
| S5A1-2-E | Steroid 5-alpha-reductase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 4 | 0.42 | Binding ≤ 10μM |
| S5A1-2-E | Steroid 5-alpha-reductase 1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| S5A2-1-E | Steroid 5-alpha-reductase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7 | 0.41 | Binding ≤ 10μM |
| S5A2-1-E | Steroid 5-alpha-reductase 2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 10 | 0.40 | Binding ≤ 10μM |
| ANDR-2-E | Androgen Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 463 | 0.32 | Functional ≤ 10μM |
| Z80453-1-O | SC-3 (cluster #1 Of 2), Other | Other | 463 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 3BHS1_HUMAN | P14060 | 3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type I, Human | 20 | 0.38 | Binding ≤ 1μM |
| 3BHS2_HUMAN | P26439 | 3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type II, Human | 20 | 0.38 | Binding ≤ 1μM |
| S5A1_RAT | P24008 | Steroid 5-alpha-reductase 1, Rat | 9.5 | 0.40 | Binding ≤ 1μM |
| S5A1_HUMAN | P18405 | Steroid 5-alpha-reductase 1, Human | 4.14 | 0.42 | Binding ≤ 1μM |
| S5A2_RAT | P31214 | Steroid 5-alpha-reductase 2, Rat | 9.5 | 0.40 | Binding ≤ 1μM |
| S5A2_HUMAN | P31213 | Steroid 5-alpha-reductase 2, Human | 7.48 | 0.41 | Binding ≤ 1μM |
| 3BHS1_HUMAN | P14060 | 3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type I, Human | 20 | 0.38 | Binding ≤ 10μM |
| 3BHS2_HUMAN | P26439 | 3-beta-hydroxysteroid Dehydrogenase/delta 5-->4-isomerase Type II, Human | 20 | 0.38 | Binding ≤ 10μM |
| S5A1_RAT | P24008 | Steroid 5-alpha-reductase 1, Rat | 9.5 | 0.40 | Binding ≤ 10μM |
| S5A1_HUMAN | P18405 | Steroid 5-alpha-reductase 1, Human | 4.14 | 0.42 | Binding ≤ 10μM |
| S5A2_RAT | P31214 | Steroid 5-alpha-reductase 2, Rat | 9.5 | 0.40 | Binding ≤ 10μM |
| S5A2_HUMAN | P31213 | Steroid 5-alpha-reductase 2, Human | 7.48 | 0.41 | Binding ≤ 10μM |
| ANDR_MOUSE | P19091 | Androgen Receptor, Mouse | 463 | 0.32 | Functional ≤ 10μM |
| Z80453 | Z80453 | SC-3 | 463 | 0.32 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Androgen biosynthesis | |
| Glucocorticoid biosynthesis | |
| Mineralocorticoid biosynthesis | |
| Nuclear Receptor transcription pathway |
