UCSF

ZINC01269245

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 27 No

Popular Name: (2R)-2-[(5Z)-4-keto-5-[(E)-3-phenylprop-2-enylidene]-2-thioxo-thiazolidin-3-yl]-3-phenyl-propionate (2R)-2-[(5Z)-4-keto-5-[(E)-3-phe…

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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) 3.69 0.11 -60.35 0 4 -1 62 394.497 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DUS3-3-E Dual Specificity Protein Phosphatase 3 (cluster #3 Of 3), Eukaryotic Eukaryotes 2010 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DUS3_HUMAN P51452 Dual Specificity Protein Phosphatase 3, Human 2010 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ERKs are inactivated

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