| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 31 | Yes |
| 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) | 5.86 | 12.89 | -40.4 | 1 | 4 | 1 | 42 | 461.614 | 12 | ↓ |
| Hi High (pH 8-9.5) | 5.86 | 10.55 | -7.81 | 0 | 4 | 0 | 41 | 460.606 | 12 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAS1-1-E | Cycloartenol Synthase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 440 | 0.29 | Binding ≤ 10μM |
| ERG7-1-E | Lanosterol Synthase (cluster #1 Of 3), Eukaryotic | Eukaryotes | 100 | 0.32 | Binding ≤ 10μM |
| ERG7-1-F | Lanosterol Synthase (cluster #1 Of 2), Fungal | Fungi | 300 | 0.29 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAS1_ARATH | P38605 | Cycloartenol Synthase, Arath | 440 | 0.29 | Binding ≤ 1μM |
| ERG7_YEAST | P38604 | Lanosterol Synthase, Yeast | 300 | 0.29 | Binding ≤ 1μM |
| ERG7_HUMAN | P48449 | Lanosterol Synthase, Human | 100 | 0.32 | Binding ≤ 1μM |
| CAS1_ARATH | P38605 | Cycloartenol Synthase, Arath | 440 | 0.29 | Binding ≤ 10μM |
| ERG7_HUMAN | P48449 | Lanosterol Synthase, Human | 100 | 0.32 | Binding ≤ 10μM |
| ERG7_YEAST | P38604 | Lanosterol Synthase, Yeast | 300 | 0.29 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis |
