UCSF

ZINC05528435

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2006 14 No

Popular Name: LS-95243 LS-95243

Find On: PubMed — Wikipedia — Google

CAS Number: 34108-95-7

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) 2.58 6.42 -12.65 2 2 0 32 200.266 0 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SIRT1-3-E NAD-dependent Deacetylase Sirtuin 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 9600 0.50 Binding ≤ 10μM
SIRT2-2-E NAD-dependent Deacetylase Sirtuin 2 (cluster #2 Of 3), Eukaryotic Eukaryotes 10000 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SIRT1_HUMAN Q96EB6 NAD-dependent Deacetylase Sirtuin 1, Human 9600 0.50 Binding ≤ 10μM
SIRT2_HUMAN Q8IXJ6 NAD-dependent Deacetylase Sirtuin 2, Human 10000 0.50 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Regulation of HSF1-mediated heat shock response
SIRT1 negatively regulates rRNA Expression

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

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