UCSF

ZINC13798111

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 18 Yes

Popular Name: 6-[(3-ethyl-4-methyl-phenyl)amino]-1H-pyrimidine-2,4-dione 6-[(3-ethyl-4-methyl-phenyl)amin…

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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) 2.73 4.37 -9.33 3 5 0 78 245.282 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RPC10-1-E DNA-directed RNA Polymerases III 12.5 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.47 Binding ≤ 10μM
RPC4-1-E DNA-directed RNA Polymerase III 47 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.47 Binding ≤ 10μM
RPC6-1-E DNA-directed RNA Polymerase III 39 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.47 Binding ≤ 10μM
DPO3-1-B DNA Polymerase III (cluster #1 Of 1), Bacterial Bacteria 310 0.51 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 310 0.51 Binding ≤ 1μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 1000 0.47 Binding ≤ 1μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 1000 0.47 Binding ≤ 1μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 1000 0.47 Binding ≤ 1μM
DPO3_BACSU P13267 DNA Polymerase III, Bacsu 310 0.51 Binding ≤ 10μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 1000 0.47 Binding ≤ 10μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 1000 0.47 Binding ≤ 10μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 1000 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cytosolic sensors of pathogen-associated DNA
RNA Polymerase III Abortive And Retractive Initiation
RNA Polymerase III Chain Elongation
RNA Polymerase III Transcription Initiation From Type 1 Promoter
RNA Polymerase III Transcription Initiation From Type 2 Promoter
RNA Polymerase III Transcription Initiation From Type 3 Promoter
RNA Polymerase III Transcription Termination

Rings

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

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