UCSF

ZINC13798108

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 24 Yes

Popular Name: 3-hexyl-6-(indan-5-ylamino)-1H-pyrimidine-2,4-dione 3-hexyl-6-(indan-5-ylamino)-1H-p…

Find On: PubMed — Wikipedia — Google

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) 4.37 10.65 -8.9 2 5 0 67 327.428 7 ↓

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 240 0.39 Binding ≤ 10μM
RPC4-1-E DNA-directed RNA Polymerase III 47 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.39 Binding ≤ 10μM
RPC6-1-E DNA-directed RNA Polymerase III 39 KDa Polypeptide (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 240 0.39 Binding ≤ 1μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 240 0.39 Binding ≤ 1μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 240 0.39 Binding ≤ 1μM
RPC6_HUMAN Q9H1D9 DNA-directed RNA Polymerase III 39 KDa Polypeptide, Human 240 0.39 Binding ≤ 10μM
RPC4_HUMAN P05423 DNA-directed RNA Polymerase III 47 KDa Polypeptide, Human 240 0.39 Binding ≤ 10μM
RPC10_HUMAN Q9Y2Y1 DNA-directed RNA Polymerases III 12.5 KDa Polypeptide, Human 240 0.39 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.