| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 30th, 2007 | 28 | No |
| 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) | 3.40 | 11.05 | -223.01 | 1 | 8 | -3 | 142 | 420.463 | 19 | ↓ |
| Mid Mid (pH 6-8) | 3.40 | 9.91 | -112.61 | 2 | 8 | -2 | 139 | 421.471 | 19 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LPAR1-2-E | Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic | Eukaryotes | 1850 | 0.29 | Functional ≤ 10μM |
| LPAR3-1-E | Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 1600 | 0.29 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| LPAR1_HUMAN | Q92633 | Lysophosphatidic Acid Receptor Edg-2, Human | 1850 | 0.29 | Functional ≤ 10μM |
| LPAR3_HUMAN | Q9UBY5 | Lysophosphatidic Acid Receptor Edg-7, Human | 1600 | 0.29 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Lysosphingolipid and LPA receptors |
