| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 25 | No |
Popular Name: Sphingosine 1-phosphate Sphingosine 1-phosphate
Find On: PubMed — Wikipedia — Google
CAS Number: 26993-30-6
| 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) | 4.48 | 7.68 | -113.24 | 4 | 6 | -1 | 120 | 378.47 | 17 | ↓ |
| Hi High (pH 8-9.5) | 4.48 | 7.4 | -130.44 | 3 | 6 | -2 | 119 | 377.462 | 17 | ↓ |
| Lo Low (pH 4.5-6) | 4.48 | 6.53 | -52.59 | 5 | 6 | 0 | 117 | 379.478 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S1PR1-2-E | Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| S1PR1-2-E | Sphingosine 1-phosphate Receptor Edg-1 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 6 | 0.46 | Binding ≤ 10μM |
| S1PR2-1-E | Sphingosine 1-phosphate Receptor Edg-5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| S1PR3-3-E | Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| S1PR3-3-E | Sphingosine 1-phosphate Receptor Edg-3 (cluster #3 Of 3), Eukaryotic | Eukaryotes | 2 | 0.49 | Binding ≤ 10μM |
| S1PR4-2-E | Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.50 | Binding ≤ 10μM |
| S1PR4-2-E | Sphingosine 1-phosphate Receptor Edg-6 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 23 | 0.43 | Binding ≤ 10μM |
| S1PR5-2-E | Sphingosine 1-phosphate Receptor Edg-8 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S1PR1_HUMAN | P21453 | Sphingosine 1-phosphate Receptor Edg-1, Human | 0.16 | 0.55 | Binding ≤ 1μM |
| S1PR3_HUMAN | Q99500 | Sphingosine 1-phosphate Receptor Edg-3, Human | 0.1 | 0.56 | Binding ≤ 1μM |
| S1PR2_HUMAN | O95136 | Sphingosine 1-phosphate Receptor Edg-5, Human | 0.23 | 0.54 | Binding ≤ 1μM |
| S1PR4_HUMAN | O95977 | Sphingosine 1-phosphate Receptor Edg-6, Human | 23 | 0.43 | Binding ≤ 1μM |
| S1PR5_HUMAN | Q9H228 | Sphingosine 1-phosphate Receptor Edg-8, Human | 2 | 0.49 | Binding ≤ 1μM |
| S1PR1_HUMAN | P21453 | Sphingosine 1-phosphate Receptor Edg-1, Human | 0.16 | 0.55 | Binding ≤ 10μM |
| S1PR3_HUMAN | Q99500 | Sphingosine 1-phosphate Receptor Edg-3, Human | 0.1 | 0.56 | Binding ≤ 10μM |
| S1PR2_HUMAN | O95136 | Sphingosine 1-phosphate Receptor Edg-5, Human | 0.23 | 0.54 | Binding ≤ 10μM |
| S1PR4_HUMAN | O95977 | Sphingosine 1-phosphate Receptor Edg-6, Human | 23 | 0.43 | Binding ≤ 10μM |
| S1PR5_HUMAN | Q9H228 | Sphingosine 1-phosphate Receptor Edg-8, Human | 2 | 0.49 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Lysosphingolipid and LPA receptors |
