| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 28 | Yes |
5-chloro-N-((2S,3R)-4-(dimethylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-indole-2-carboxamide
| 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) | 2.30 | -2.57 | -15.46 | 3 | 6 | 0 | 85 | 399.878 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Target | Phosphorylase | Selleck Chemicals |
| PUBCHEM_PATENT_ID | WO1996039385A1; WO1999043663A1; WO2000066578A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYGL-1-E | Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 130 | 0.34 | Binding ≤ 10μM |
| Z80477-1-O | SK_HEP1 (Hepatoma Cells) (cluster #1 Of 1), Other | Other | 1500 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PYGL_MOUSE | Q9ET01 | Liver Glycogen Phosphorylase, Mouse | 130 | 0.34 | Binding ≤ 1μM |
| PYGL_HUMAN | P06737 | Liver Glycogen Phosphorylase, Human | 110 | 0.35 | Binding ≤ 1μM |
| PYGL_MOUSE | Q9ET01 | Liver Glycogen Phosphorylase, Mouse | 130 | 0.34 | Binding ≤ 10μM |
| PYGL_HUMAN | P06737 | Liver Glycogen Phosphorylase, Human | 110 | 0.35 | Binding ≤ 10μM |
| Z80477 | Z80477 | SK_HEP1 (Hepatoma Cells) | 1500 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Glycogen breakdown (glycogenolysis) |
