UCSF

ZINC00943067

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 32 No

Popular Name: (E)-2-cyano-N-(5-quinolyl)-3-[5-[3-(trifluoromethyl)phenyl]-2-furyl]acrylamide (E)-2-cyano-N-(5-quinolyl)-3-[5-…

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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) 5.32 3.98 -17.21 1 5 0 78 433.389 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SIRT2-3-E NAD-dependent Deacetylase Sirtuin 2 (cluster #3 Of 3), Eukaryotic Eukaryotes 6000 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SIRT2_HUMAN Q8IXJ6 NAD-dependent Deacetylase Sirtuin 2, Human 6000 0.23 Binding ≤ 10μM

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

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