In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 15 | Yes |
Popular Name: DNC005726 DNC005726
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) | 2.66 | 9.14 | -7.41 | 0 | 2 | 0 | 18 | 194.237 | 1 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
C11B1-2-E | Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1317 | 0.55 | Binding ≤ 10μM |
C11B2-1-E | Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 39 | 0.69 | Binding ≤ 10μM |
CP19A-3-E | Cytochrome P450 19A1 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2821 | 0.52 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 38.5 | 0.69 | Binding ≤ 1μM |
C11B1_HUMAN | P15538 | Cytochrome P450 11B1, Human | 1317 | 0.55 | Binding ≤ 10μM |
C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 38.5 | 0.69 | Binding ≤ 10μM |
CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 2800 | 0.52 | Binding ≤ 10μM |
Description | Species |
---|---|
Endogenous sterols | |
Estrogen biosynthesis | |
Glucocorticoid biosynthesis | |
Mineralocorticoid biosynthesis |
No pre-computed analogs available. Try a structural similarity search.