In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 23rd, 2008 | 18 | Yes |
Popular Name: DNC006350 DNC006350
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) | 3.13 | 8.08 | -6.02 | 0 | 2 | 0 | 22 | 237.302 | 2 | ↓ |
Lo Low (pH 4.5-6) | 3.13 | 8.35 | -36.33 | 1 | 2 | 1 | 23 | 238.31 | 2 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
C11B1-1-E | Cytochrome P450 11B1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 578 | 0.49 | Binding ≤ 10μM |
C11B2-1-E | Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2 | 0.68 | Binding ≤ 10μM |
CP19A-1-E | Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 814 | 0.47 | Binding ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
C11B1_HUMAN | P15538 | Cytochrome P450 11B1, Human | 578 | 0.49 | Binding ≤ 1μM |
C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 2 | 0.68 | Binding ≤ 1μM |
CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 814 | 0.47 | Binding ≤ 1μM |
C11B1_HUMAN | P15538 | Cytochrome P450 11B1, Human | 578 | 0.49 | Binding ≤ 10μM |
C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 2 | 0.68 | Binding ≤ 10μM |
CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 814 | 0.47 | Binding ≤ 10μM |
Description | Species |
---|---|
Endogenous sterols | |
Estrogen biosynthesis | |
Glucocorticoid biosynthesis | |
Mineralocorticoid biosynthesis |