UCSF

ZINC02878869

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 24 No

Popular Name: (5E)-5-[(5-iodo-2-furyl)methylene]-1-(4-methoxyphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone (5E)-5-[(5-iodo-2-furyl)methylen…

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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) 2.50 -0.74 -11.83 1 6 0 77 454.245 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DUS3-1-E Dual Specificity Protein Phosphatase 3 (cluster #1 Of 3), Eukaryotic Eukaryotes 4440 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DUS3_HUMAN P51452 Dual Specificity Protein Phosphatase 3, Human 4440 0.31 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ERKs are inactivated

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