UCSF

ZINC03789195

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) 1.85 -1.19 -5.53 4 4 0 81 338.488 2

Vendor Notes

Note Type Comments Provided By
UniProt Database Links ACS_PLEBE; CDKA1_ARATH; CNDH2_ARATH; DPOLQ_HUMAN; FACD2_HUMAN; GENL2_ORYSJ; UHRF1_MOUSE ChEBI
PUBCHEM_PATENT_ID EP0112603A1; EP0112603B2; EP0192279A1; EP0315782A2; EP0315782B1; EP0337441A2; EP0370171A2; EP0370171B1; EP0430511A1; EP0456188B1; EP0475160B1; EP0475719A3; EP0504289A1; EP0504289B1; EP0575546A1; EP0604560A1; EP0606210A1; EP0606210B1; EP0610420A1; EP061042 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOLA-2-E DNA Polymerase Alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 0.32 Binding ≤ 10μM
DPOL-2-V Human Herpesvirus 6 DNA Polymerase (cluster #2 Of 4), Viral Viruses 400 0.37 Binding ≤ 10μM
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 2), Other Other 438 0.37 Binding ≤ 10μM
Z50602-3-O Human Herpesvirus 1 (cluster #3 Of 5), Other Other 590 0.36 Functional ≤ 10μM
Z80583-2-O Vero (Kidney Cells) (cluster #2 Of 3), Other Other 580 0.36 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPOL_VZVD P09252 DNA Polymerase, Vzvd 600 0.36 Binding ≤ 1μM
DPOL_HHV1K P04292 DNA Polymerase Catalytic Subunit, Hhv1k 438 0.37 Binding ≤ 1μM
Z50602 Z50602 Human Herpesvirus 1 438 0.37 Binding ≤ 1μM
DPOL_HHV11 P04293 Human Herpesvirus 1 DNA Polymerase, Hhv11 500 0.37 Binding ≤ 1μM
DPOL_HCMVA P08546 Human Herpesvirus 5 DNA Polymerase, Hcmva 400 0.37 Binding ≤ 1μM
DPOL_HHV6U P28857 Human Herpesvirus 6 DNA Polymerase, Hhv6u 400 0.37 Binding ≤ 1μM
DPOL_VZVD P09252 DNA Polymerase, Vzvd 2600 0.33 Binding ≤ 10μM
DPOLA_HUMAN P09884 DNA Polymerase Alpha Subunit, Human 2000 0.33 Binding ≤ 10μM
DPOL_HHV1K P04292 DNA Polymerase Catalytic Subunit, Hhv1k 438 0.37 Binding ≤ 10μM
Z50602 Z50602 Human Herpesvirus 1 438 0.37 Binding ≤ 10μM
DPOL_HHV11 P04293 Human Herpesvirus 1 DNA Polymerase, Hhv11 500 0.37 Binding ≤ 10μM
DPOL_HCMVA P08546 Human Herpesvirus 5 DNA Polymerase, Hcmva 400 0.37 Binding ≤ 10μM
DPOL_HHV6U P28857 Human Herpesvirus 6 DNA Polymerase, Hhv6u 400 0.37 Binding ≤ 10μM
Z50602 Z50602 Human Herpesvirus 1 590 0.36 Functional ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 580 0.36 ADME/T ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of the pre-replicative complex
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 the Flap Intermediate
Telomere C-strand synthesis initiation

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