UCSF

ZINC05004473

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2006 21 Yes

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) 4.21 1.91 -52.28 0 3 -1 49 287.379 2

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 4000 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPOLA_HUMAN P09884 DNA Polymerase Alpha Subunit, Human 4000 0.36 Binding ≤ 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% )