| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 20th, 2010 | 21 | No |
Popular Name: DNC011034 DNC011034
| 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) | 3.44 | 5.68 | -10.67 | 2 | 3 | 0 | 53 | 277.323 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.44 | 6.14 | -39.66 | 3 | 3 | 1 | 55 | 278.331 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C11B1-2-E | Cytochrome P450 11B1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1400 | 0.39 | Binding ≤ 10μM |
| C11B2-1-E | Cytochrome P450 11B2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 948 | 0.40 | Binding ≤ 10μM |
| CP17A-1-E | Cytochrome P450 17A1 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 52 | 0.49 | Binding ≤ 10μM |
| CP19A-1-E | Cytochrome P450 19A1 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2440 | 0.37 | Binding ≤ 10μM |
| CP3A4-1-E | Cytochrome P450 3A4 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 7580 | 0.34 | Binding ≤ 10μM |
| CP3A4-2-E | Cytochrome P450 3A4 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 7580 | 0.34 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 948 | 0.40 | Binding ≤ 1μM |
| CP17A_HUMAN | P05093 | Cytochrome P450 17A1, Human | 52 | 0.49 | Binding ≤ 1μM |
| C11B1_HUMAN | P15538 | Cytochrome P450 11B1, Human | 1400 | 0.39 | Binding ≤ 10μM |
| C11B2_HUMAN | P19099 | Cytochrome P450 11B2, Human | 948 | 0.40 | Binding ≤ 10μM |
| CP17A_HUMAN | P05093 | Cytochrome P450 17A1, Human | 52 | 0.49 | Binding ≤ 10μM |
| CP19A_HUMAN | P11511 | Cytochrome P450 19A1, Human | 2440 | 0.37 | Binding ≤ 10μM |
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 7580 | 0.34 | Binding ≤ 10μM |
| CP3A4_HUMAN | P08684 | Cytochrome P450 3A4, Human | 7580 | 0.34 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| Aflatoxin activation and detoxification | |
| Androgen biosynthesis | |
| Endogenous sterols | |
| Estrogen biosynthesis | |
| Glucocorticoid biosynthesis | |
| Mineralocorticoid biosynthesis | |
| Xenobiotics |
No pre-computed analogs available. Try a structural similarity search.
