| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 14th, 2010 | 36 | Yes |
None
| 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) | 5.00 | 11.45 | -50.79 | 4 | 8 | 1 | 104 | 509.7 | 8 | ↓ |
| Hi High (pH 8-9.5) | 5.00 | 9.57 | -16.17 | 3 | 8 | 0 | 102 | 508.692 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INSR-1-E | Insulin Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 400 | 0.25 | Binding ≤ 10μM |
| ITK-1-E | Tyrosine-protein Kinase ITK/TSK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 8 | 0.31 | Binding ≤ 10μM |
| ITK-1-E | Tyrosine-protein Kinase ITK/TSK (cluster #1 Of 1), Eukaryotic | Eukaryotes | 3 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 230 | 0.26 | Binding ≤ 1μM |
| ITK_HUMAN | Q08881 | Tyrosine-protein Kinase ITK/TSK, Human | 1 | 0.35 | Binding ≤ 1μM |
| INSR_HUMAN | P06213 | Insulin Receptor, Human | 230 | 0.26 | Binding ≤ 10μM |
| ITK_HUMAN | Q08881 | Tyrosine-protein Kinase ITK/TSK, Human | 1 | 0.35 | Binding ≤ 10μM |
| ITK_HUMAN | Q08881 | Tyrosine-protein Kinase ITK/TSK, Human | 2 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| FCERI mediated Ca+2 mobilization | |
| Generation of second messenger molecules | |
| Insulin receptor recycling | |
| IRS activation | |
| SHC activation | |
| Signal attenuation | |
| Signaling by Insulin receptor |
