| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 31 | Yes |
Popular Name: NB-598 NB-598
| 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) | 7.77 | 17.38 | -40.69 | 1 | 2 | 1 | 14 | 450.693 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ERG1-1-E | Squalene Monooxygenase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 20 | 0.35 | Functional ≤ 10μM |
| ERG7-1-E | Lanosterol Synthase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 20 | 0.35 | Functional ≤ 10μM |
| FDFT-1-E | Squalene Synthetase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 20 | 0.35 | Functional ≤ 10μM |
| Z50587-1-O | Homo Sapiens (cluster #1 Of 9), Other | Other | 7 | 0.37 | Functional ≤ 10μM |
| Z50588-2-O | Canis Familiaris (cluster #2 Of 7), Other | Other | 43 | 0.33 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 36 | 0.34 | Functional ≤ 10μM |
| Z81020-3-O | HepG2 (Hepatoblastoma Cells) (cluster #3 Of 8), Other | Other | 20 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50588 | Z50588 | Canis Familiaris | 43 | 0.33 | Functional ≤ 10μM |
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 20 | 0.35 | Functional ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 7.2 | 0.37 | Functional ≤ 10μM |
| ERG7_HUMAN | P48449 | Lanosterol Synthase, Human | 20 | 0.35 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 36 | 0.34 | Functional ≤ 10μM |
| ERG1_HUMAN | Q14534 | Squalene Monooxygenase, Human | 20 | 0.35 | Functional ≤ 10μM |
| FDFT_HUMAN | P37268 | Squalene Synthetase, Human | 20 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Activation of gene expression by SREBF (SREBP) | |
| Cholesterol biosynthesis | |
| PPARA activates gene expression |
No pre-computed analogs available. Try a structural similarity search.