| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2009 | 33 | Yes |
Popular Name: HSDInhibitor23 HSDInhibitor23
Find On: PubMed — Wikipedia — Google
CAS Number: 868604-75-5
| 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) | 3.49 | 8.83 | -52.59 | 3 | 6 | 1 | 70 | 467.556 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | 7.02 | -10.78 | 2 | 6 | 0 | 69 | 466.548 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1-1-E | 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 8 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1_MOUSE | P50172 | 11-beta-hydroxysteroid Dehydrogenase 1, Mouse | 8 | 0.34 | Binding ≤ 1μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 46 | 0.31 | Binding ≤ 1μM |
| DHI1_MOUSE | P50172 | 11-beta-hydroxysteroid Dehydrogenase 1, Mouse | 8 | 0.34 | Binding ≤ 10μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 46 | 0.31 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glucocorticoid biosynthesis |
No pre-computed analogs available. Try a structural similarity search.