| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 17 | 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) | 2.12 | 3.95 | -16.41 | 2 | 5 | 0 | 71 | 291.785 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | WO2000037474A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABCC8-1-E | Sulfonylurea Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 450 | 0.52 | Binding ≤ 10μM |
| IRK11-1-E | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 450 | 0.52 | Binding ≤ 10μM |
| ABCC8-1-E | Sulfonylurea Receptor 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 190 | 0.55 | Functional ≤ 10μM |
| IRK11-1-E | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 190 | 0.55 | Functional ≤ 10μM |
| Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 210 | 0.55 | Functional ≤ 10μM |
| Z80047-1-O | Beta-TC3 (Insulinoma Cells) (cluster #1 Of 1), Other | Other | 500 | 0.52 | Functional ≤ 10μM |
| Z80700-1-O | Beta-TC6 (Pancreatic Insulinoma Cells) (cluster #1 Of 1), Other | Other | 250 | 0.54 | Functional ≤ 10μM |
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 190 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| IRK11_HUMAN | Q14654 | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human | 190 | 0.55 | Binding ≤ 1μM |
| ABCC8_HUMAN | Q09428 | Sulfonylurea Receptor 1, Human | 190 | 0.55 | Binding ≤ 1μM |
| IRK11_HUMAN | Q14654 | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human | 190 | 0.55 | Binding ≤ 10μM |
| ABCC8_HUMAN | Q09428 | Sulfonylurea Receptor 1, Human | 190 | 0.55 | Binding ≤ 10μM |
| Z80047 | Z80047 | Beta-TC3 (Insulinoma Cells) | 500 | 0.52 | Functional ≤ 10μM |
| Z80700 | Z80700 | Beta-TC6 (Pancreatic Insulinoma Cells) | 150 | 0.56 | Functional ≤ 10μM |
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 190 | 0.55 | Functional ≤ 10μM |
| IRK11_HUMAN | Q14654 | Potassium Channel, Inwardly Rectifying, Subfamily J, Member 11, Human | 190 | 0.55 | Functional ≤ 10μM |
| Z50597 | Z50597 | Rattus Norvegicus | 210 | 0.55 | Functional ≤ 10μM |
| ABCC8_HUMAN | Q09428 | Sulfonylurea Receptor 1, Human | 190 | 0.55 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| ABC-family proteins mediated transport | |
| ATP sensitive Potassium channels | |
| Regulation of insulin secretion |
