UCSF

ZINC17653611

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2008 14 No

Popular Name: BRD-A43076080-001-03-3 BRD-A43076080-001-03-3

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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) 1.37 4.02 -6.92 0 4 0 53 196.202 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
2AAA-1-E Serine/threonine Protein Phosphatase 2A, 65 KDa Regulatory Subunit A, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
2AAA_MOUSE Q76MZ3 Serine/threonine Protein Phosphatase 2A, 65 KDa Regulatory Subunit A, Alpha Isoform, Mouse 8000 0.51 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
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
MASTL Facilitates Mitotic Progression
misspliced GSK3beta mutants stabilize beta-catenin
Mitotic Prometaphase
Nonsense Mediated Decay (NMD) enhanced by the Exon Junction Complex (EJC)
PP2A-mediated dephosphorylation of key metabolic factors
Recruitment of mitotic centrosome proteins and complexes
Regulation of PLK1 Activity at G2/M Transition
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% )