UCSF

ZINC05418039

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2006 18 Yes

Popular Name: methylBLAHcarboxamide methylBLAHcarboxamide

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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) 2.79 -3.12 -6.57 3 3 0 58 242.322 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 640 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SIRT1_HUMAN Q96EB6 NAD-dependent Deacetylase Sirtuin 1, Human 640 0.48 Binding ≤ 1μM
SIRT1_HUMAN Q96EB6 NAD-dependent Deacetylase Sirtuin 1, Human 640 0.48 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.