UCSF

ZINC31997125

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 27 No

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

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOLA-1-E DNA Polymerase Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 2500 0.29 Binding ≤ 10μM
DPOLB-1-E DNA Polymerase Beta (cluster #1 Of 3), Eukaryotic Eukaryotes 1600 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPOLA_HUMAN P09884 DNA Polymerase Alpha Subunit, Human 2500 0.29 Binding ≤ 10μM
DPOLB_HUMAN P06746 DNA Polymerase Beta, Human 1600 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of the pre-replicative complex
Base-free sugar-phosphate removal via the single-nucleotide replacement pathway
DNA replication initiation
E2F mediated regulation of DNA replication
G1/S-Specific Transcription
Inhibition of replication initiation of damaged DNA by RB1/E2F1
Leading Strand Synthesis
Polymerase switching
Polymerase switching on the C-strand of the telomere
Processive synthesis on the lagging strand
Removal of DNA patch containing abasic residue
Removal of the Flap Intermediate
Resolution of AP sites via the single-nucleotide replacement pathway
Telomere C-strand synthesis initiation

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