UCSF

ZINC13455082

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
DPOD1-1-E DNA Polymerase Delta Subunit 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.25 Binding ≤ 10μM
DPOL-1-V Human Herpesvirus 6 DNA Polymerase (cluster #1 Of 4), Viral Viruses 5800 0.24 Binding ≤ 10μM
Q72547-1-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #1 Of 6), Viral Viruses 91 0.32 Binding ≤ 10μM
Z50602-1-O Human Herpesvirus 1 (cluster #1 Of 2), Other Other 3300 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 91 0.32 Binding ≤ 1μM
DPOL_VZVD P09252 DNA Polymerase, Vzvd 5800 0.24 Binding ≤ 10μM
DPOL_HHV1K P04292 DNA Polymerase Catalytic Subunit, Hhv1k 3300 0.25 Binding ≤ 10μM
DPOD1_HUMAN P28340 DNA Polymerase Delta Subunit 1, Human 2300 0.25 Binding ≤ 10μM
Z50602 Z50602 Human Herpesvirus 1 3300 0.25 Binding ≤ 10μM
DPOL_HHV11 P04293 Human Herpesvirus 1 DNA Polymerase, Hhv11 3300 0.25 Binding ≤ 10μM
Q72547_9HIV1 Q72547 Human Immunodeficiency Virus Type 1 Reverse Transcriptase, 9hiv1 2100 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cytosolic iron-sulfur cluster assembly
Leading Strand Synthesis
Mismatch repair (MMR) directed by MSH2:MSH3 (MutSbeta)
Mismatch repair (MMR) directed by MSH2:MSH6 (MutSalpha)
Polymerase switching
Polymerase switching on the C-strand of the telomere
Processive synthesis 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
Removal of the Flap Intermediate from the C-strand
Repair synthesis for gap-filling by DNA polymerase in TC-NER
Repair synthesis of patch ~27-30 bases long by DNA polymerase
Resolution of AP sites via the multiple-nucleotide patch replacement pathway
Telomere C-strand (Lagging Strand) Synthesis

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