UCSF

ZINC01640999

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: DNC014865 DNC014865

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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) 0.38 2.48 -12.16 2 5 0 75 178.147 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERCC5-1-E DNA Excision Repair Protein ERCC-5 (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
FEN1-1-E Flap Endonuclease 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
RNH1-2-E Ribonuclease H1 (cluster #2 Of 2), Eukaryotic Eukaryotes 5900 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ERCC5_HUMAN P28715 DNA Excision Repair Protein ERCC-5, Human 0.16 1.05 Binding ≤ 1μM
FEN1_HUMAN P39748 Flap Endonuclease 1, Human 0.1 1.08 Binding ≤ 1μM
ERCC5_HUMAN P28715 DNA Excision Repair Protein ERCC-5, Human 0.16 1.05 Binding ≤ 10μM
FEN1_HUMAN P39748 Flap Endonuclease 1, Human 0.1 1.08 Binding ≤ 10μM
RNH1_HUMAN O60930 Ribonuclease H1, Human 5900 0.56 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dual incision reaction in GG-NER
Dual incision reaction in TC-NER
Formation of incision complex in GG-NER
Formation of transcription-coupled NER (TC-NER) repair complex
Removal of DNA patch containing abasic residue
Removal of the Flap Intermediate
Removal of the Flap Intermediate from the C-strand

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

No pre-computed analogs available. Try a structural similarity search.