UCSF

ZINC13516800

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 27 No

Popular Name: DNC014844 DNC014844

Find On: PubMed — Wikipedia — Google

CAS Numbers: 132619-66-0 , 93939-77-6

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
DPOLB-1-E DNA Polymerase Beta (cluster #1 Of 3), Eukaryotic Eukaryotes 1300 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPOLB_HUMAN P06746 DNA Polymerase Beta, Human 1300 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Base-free sugar-phosphate removal via the single-nucleotide replacement pathway
Removal of DNA patch containing abasic residue
Resolution of AP sites via the single-nucleotide replacement pathway

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