| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 16th, 2009 | 25 | 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) | 3.72 | 9 | -48.25 | 3 | 5 | -1 | 95 | 333.367 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2-1-E | HM74 Nicotinic Acid GPCR (cluster #1 Of 4), Eukaryotic | Eukaryotes | 34 | 0.42 | Binding ≤ 10μM |
| HCAR2-2-E | HM74 Nicotinic Acid GPCR (cluster #2 Of 3), Eukaryotic | Eukaryotes | 540 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 34 | 0.42 | Binding ≤ 1μM |
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 34 | 0.42 | Binding ≤ 10μM |
| HCAR2_HUMAN | Q8TDS4 | Nicotinic Acid Receptor 1, Human | 540 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Class A/1 (Rhodopsin-like receptors) | |
| G alpha (i) signalling events | |
| Hydroxycarboxylic acid-binding receptors |
