UCSF

ZINC28098985

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 23 Yes

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) 1.47 5.45 -66.85 1 7 -1 105 318.305 5
Lo Low (pH 4.5-6) 1.47 4.33 -31.29 2 7 0 102 319.313 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTPA_HUMAN Q15257 Protein Phosphatase 2A Regulatory Subunit B', Human 7700 0.31 Binding ≤ 10μM
2ABG_HUMAN Q9Y2T4 Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform, Human 7700 0.31 Binding ≤ 10μM
2A5A_HUMAN Q15172 Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform, Human 7700 0.31 Binding ≤ 10μM
PP2AA_HUMAN P67775 Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform, Human 7700 0.31 Binding ≤ 10μM
PP2AB_HUMAN P62714 Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform, Human 7700 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
APC truncation mutants have impaired AXIN binding
AXIN missense mutants destabilize the destruction complex
Beta-catenin phosphorylation cascade
CTLA4 inhibitory signaling
Cyclin A/B1 associated events during G2/M transition
Cyclin D associated events in G1
DARPP-32 events
Degradation of beta-catenin by the destruction complex
disassembly of the destruction complex and recruitment of AXIN to the membrane
ERK/MAPK targets
ERKs are inactivated
Glycolysis
Inhibition of replication initiation of damaged DNA by RB1/E2F1
Initiation of Nuclear Envelope Reformation
Integration of energy metabolism
MASTL Facilitates Mitotic Progression
misspliced GSK3beta mutants stabilize beta-catenin
Mitotic Prometaphase
Nonsense Mediated Decay (NMD) enhanced by the Exon Junction Complex (EJC)
Platelet sensitization by LDL
PP2A-mediated dephosphorylation of key metabolic factors
Resolution of Sister Chromatid Cohesion
S33 mutants of beta-catenin aren't phosphorylated
S37 mutants of beta-catenin aren't phosphorylated
S45 mutants of beta-catenin aren't phosphorylated
Separation of Sister Chromatids
Spry regulation of FGF signaling
T41 mutants of beta-catenin aren't phosphorylated
truncations of AMER1 destabilize the destruction complex

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

No pre-computed analogs available. Try a structural similarity search.