| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 8th, 2010 | 23 | No |
Popular Name: [(1R,2R,3R,4S,5S)-2,5-dihydroxy-3,4-diphosphonooxy-cyclohexyl] [(1R,2R,3R,4S,5S)-2,5-dihydroxy-…
| 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) | -4.45 | -5.74 | -482.46 | 3 | 14 | -5 | 255 | 399.054 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.45 | -4.59 | -625.04 | 2 | 14 | -6 | 258 | 398.046 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.45 | -5.74 | -457.42 | 3 | 14 | -5 | 255 | 399.054 | 6 | ↓ |
| Mid Mid (pH 6-8) | -4.45 | -5.74 | -447.61 | 3 | 14 | -5 | 255 | 399.054 | 6 | ↓ |
| Lo Low (pH 4.5-6) | -4.45 | -8.03 | -187.72 | 5 | 14 | -3 | 249 | 401.07 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITPR1-1-E | Inositol 1,4,5-trisphosphate Receptor Type 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 130 | 0.42 | Functional ≤ 10μM |
| ITPR2-1-E | Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 130 | 0.42 | Functional ≤ 10μM |
| ITPR3-1-E | Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 130 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITPR1_HUMAN | Q14643 | Inositol 1,4,5-trisphosphate Receptor Type 1, Human | 130 | 0.42 | Functional ≤ 10μM |
| ITPR2_HUMAN | Q14571 | Inositol 1,4,5-trisphosphate Receptor Type 2, Human | 130 | 0.42 | Functional ≤ 10μM |
| ITPR3_HUMAN | Q14573 | Inositol 1,4,5-trisphosphate Receptor Type 3, Human | 130 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| Ca2+ pathway | |
| cGMP effects | |
| DAG and IP3 signaling | |
| Effects of PIP2 hydrolysis | |
| Elevation of cytosolic Ca2+ levels | |
| FCERI mediated Ca+2 mobilization | |
| Glucagon-like Peptide-1 (GLP1) regulates insulin secretion | |
| PLC beta mediated events | |
| Regulation of insulin secretion | |
| Role of phospholipids in phagocytosis | |
| VEGFR2 mediated cell proliferation |
