| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 22 | Yes |
Popular Name: 2',3'-O-Isopropylideneadenosine 2',3'-O-Isopropylideneadenosine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 118854-48-1 , 362-75-4 , N/A
(6-(6-Amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol
Isopropyl4-Hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate1,1-Dioxide(PiroxicamImpurityL)
[6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methanol
| 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) | 0.08 | -8.22 | -10.74 | 3 | 9 | 0 | 117 | 307.31 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -2.68 | -8.08 | -34.06 | 4 | 9 | 1 | 119 | 308.318 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P4K2A-2-E | PI4-kinase Type II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8400 | 0.32 | Binding ≤ 10μM |
| P4K2B-2-E | PI4-kinase Type II Beta (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8400 | 0.32 | Binding ≤ 10μM |
| PI4KA-2-E | PI4-kinase Alpha Subunit (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8400 | 0.32 | Binding ≤ 10μM |
| PI4KB-1-E | PI4-kinase Beta Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 8400 | 0.32 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PI4KA_HUMAN | P42356 | PI4-kinase Alpha Subunit, Human | 8400 | 0.32 | Binding ≤ 10μM |
| PI4KB_HUMAN | Q9UBF8 | PI4-kinase Beta Subunit, Human | 8400 | 0.32 | Binding ≤ 10μM |
| P4K2A_HUMAN | Q9BTU6 | PI4-kinase Type II, Human | 8400 | 0.32 | Binding ≤ 10μM |
| P4K2B_HUMAN | Q8TCG2 | PI4-kinase Type II Beta, Human | 8400 | 0.32 | 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 |
