| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 4th, 2009 | 17 | Yes |
| 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) | 2.66 | 6.8 | -9.51 | 2 | 5 | 0 | 70 | 231.303 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.66 | 7.27 | -34.99 | 3 | 5 | 1 | 71 | 232.311 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P4K2A-2-E | PI4-kinase Type II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7200 | 0.42 | Binding ≤ 10μM |
| P4K2B-2-E | PI4-kinase Type II Beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7200 | 0.42 | Binding ≤ 10μM |
| PI4KA-2-E | PI4-kinase Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 7200 | 0.42 | Binding ≤ 10μM |
| PI4KB-1-E | PI4-kinase Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 7200 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PI4KA_HUMAN | P42356 | PI4-kinase Alpha Subunit, Human | 5000 | 0.44 | Binding ≤ 10μM |
| PI4KB_HUMAN | Q9UBF8 | PI4-kinase Beta Subunit, Human | 5000 | 0.44 | Binding ≤ 10μM |
| P4K2A_HUMAN | Q9BTU6 | PI4-kinase Type II, Human | 5000 | 0.44 | Binding ≤ 10μM |
| P4K2B_HUMAN | Q8TCG2 | PI4-kinase Type II Beta, Human | 5000 | 0.44 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis of PIPs at the early endosome membrane | |
| Synthesis of PIPs at the ER membrane | |
| Synthesis of PIPs at the Golgi membrane | |
| Synthesis of PIPs at the plasma membrane |
