| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 29th, 2010 | 21 | Yes |
Popular Name: DNC010516 DNC010516
None
| 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) | 3.16 | 10.85 | -10.08 | 0 | 3 | 0 | 42 | 277.302 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.16 | 11.36 | -42.78 | 1 | 3 | 1 | 43 | 278.31 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C11B1-1-E | Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 32 | 0.50 | Binding ≤ 10μM |
| C11B2-2-E | Cytochrome P450 11B2 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C11B1_HUMAN | P15538 | Cytochrome P450 11B1, Human | 32 | 0.50 | Binding ≤ 1μM |
| C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 5.49540874 | 0.55 | Binding ≤ 1μM |
| C11B1_HUMAN | P15538 | Cytochrome P450 11B1, Human | 32 | 0.50 | Binding ≤ 10μM |
| C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 5.49540874 | 0.55 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Endogenous sterols | |
| Glucocorticoid biosynthesis | |
| Mineralocorticoid biosynthesis |
