UCSF

ZINC13677654

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 15 Yes

Popular Name: (3S)-1,2,3,4-tetrahydrocyclopenta[b]indole-3-carboxamide (3S)-1,2,3,4-tetrahydrocyclopent…

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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) 1.34 3.02 -13.19 3 3 0 59 200.241 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SIRT1-1-E NAD-dependent Deacetylase Sirtuin 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 2670 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SIRT1_HUMAN Q96EB6 NAD-dependent Deacetylase Sirtuin 1, Human 2670 0.52 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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

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