| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 28 | No |
Popular Name: myo-Inositol1,3,4,6-tetrakis-phosphateammoniumsalt myo-Inositol1,3,4,6-tetrakis-pho…
Find On: PubMed — Wikipedia — Google
CAS Number: 142507-74-2
| 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) | -5.07 | -9.46 | -434.04 | 5 | 18 | -5 | 322 | 495.032 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.07 | -6.03 | -993.35 | 2 | 18 | -8 | 330 | 492.008 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.07 | -7.17 | -794.92 | 3 | 18 | -7 | 327 | 493.016 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.07 | -6.7 | -797.2 | 3 | 18 | -7 | 327 | 493.016 | 8 | ↓ |
| Mid Mid (pH 6-8) | -5.07 | -7.3 | -786.98 | 3 | 18 | -7 | 327 | 493.016 | 8 | ↓ |
| Lo Low (pH 4.5-6) | -5.07 | -10.64 | -286.17 | 6 | 18 | -4 | 319 | 496.04 | 8 | ↓ |
| 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 | 9 | 0.40 | Binding ≤ 10μM |
| ITPR2-1-E | Inositol 1,4,5-trisphosphate Receptor Type 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.40 | Binding ≤ 10μM |
| ITPR3-1-E | Inositol 1,4,5-trisphosphate Receptor Type 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 9 | 0.40 | Binding ≤ 10μM |
| Z50587-2-O | Homo Sapiens (cluster #2 Of 9), Other | Other | 3900 | 0.27 | Functional ≤ 10μM |
| Z50592-2-O | Oryctolagus Cuniculus (cluster #2 Of 8), Other | Other | 9670 | 0.25 | Functional ≤ 10μM |
| Z80471-1-O | SH-SY5 (Bone Marrow Neuroblastoma Cells) (cluster #1 Of 3), Other | Other | 77 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ITPR1_HUMAN | Q14643 | Inositol 1,4,5-trisphosphate Receptor Type 1, Human | 14 | 0.39 | Binding ≤ 1μM |
| ITPR1_BOVIN | Q9TU34 | Inositol 1,4,5-trisphosphate Receptor Type 1, Bovin | 8.7 | 0.40 | Binding ≤ 1μM |
| ITPR2_HUMAN | Q14571 | Inositol 1,4,5-trisphosphate Receptor Type 2, Human | 14 | 0.39 | Binding ≤ 1μM |
| ITPR2_BOVIN | Q8WN96 | Inositol 1,4,5-trisphosphate Receptor Type 2, Bovin | 8.7 | 0.40 | Binding ≤ 1μM |
| ITPR3_HUMAN | Q14573 | Inositol 1,4,5-trisphosphate Receptor Type 3, Human | 14 | 0.39 | Binding ≤ 1μM |
| ITPR3_BOVIN | Q8WN95 | Inositol 1,4,5-trisphosphate Receptor Type 3, Bovin | 26.4 | 0.38 | Binding ≤ 1μM |
| ITPR1_BOVIN | Q9TU34 | Inositol 1,4,5-trisphosphate Receptor Type 1, Bovin | 8.7 | 0.40 | Binding ≤ 10μM |
| ITPR1_HUMAN | Q14643 | Inositol 1,4,5-trisphosphate Receptor Type 1, Human | 14 | 0.39 | Binding ≤ 10μM |
| ITPR2_BOVIN | Q8WN96 | Inositol 1,4,5-trisphosphate Receptor Type 2, Bovin | 8.7 | 0.40 | Binding ≤ 10μM |
| ITPR2_HUMAN | Q14571 | Inositol 1,4,5-trisphosphate Receptor Type 2, Human | 14 | 0.39 | Binding ≤ 10μM |
| ITPR3_BOVIN | Q8WN95 | Inositol 1,4,5-trisphosphate Receptor Type 3, Bovin | 26.4 | 0.38 | Binding ≤ 10μM |
| ITPR3_HUMAN | Q14573 | Inositol 1,4,5-trisphosphate Receptor Type 3, Human | 14 | 0.39 | Binding ≤ 10μM |
| Z50587 | Z50587 | Homo Sapiens | 3900 | 0.27 | Functional ≤ 10μM |
| Z50592 | Z50592 | Oryctolagus Cuniculus | 9670 | 0.25 | Functional ≤ 10μM |
| Z80471 | Z80471 | SH-SY5 (Bone Marrow Neuroblastoma Cells) | 163.3 | 0.34 | 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 |
