| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 31 | Yes |
Popular Name: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-ethanone 1-(2,3-dihydro-1H-indol-1-yl)-2-…
| 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) | 5.00 | 12.68 | -11.86 | 0 | 5 | 0 | 59 | 424.529 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1-3-E | 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 58 | 0.33 | Binding ≤ 10μM |
| DHI2-2-E | 11-beta-hydroxysteroid Dehydrogenase 2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8900 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 58.1 | 0.33 | Binding ≤ 1μM |
| DHI1_HUMAN | P28845 | 11-beta-hydroxysteroid Dehydrogenase 1, Human | 58.1 | 0.33 | Binding ≤ 10μM |
| DHI2_HUMAN | P80365 | 11-beta-hydroxysteroid Dehydrogenase 2, Human | 8900 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Glucocorticoid biosynthesis |
