UCSF

ZINC00171553

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 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

Download: MOL2 SDF SMILES Flexibase

Physical Representations

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 -7.5 -11.09 3 9 0 117 307.31 2 ↓
Lo Low (pH 4.5-6) -2.68 -7.36 -38.79 4 9 1 119 308.318 2 ↓

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
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

Reactome Annotations from Targets (via Uniprot)

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

Analogs ( Draw Identity 99% 90% 80% 70% )