UCSF

ZINC26920345

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 32 No

Popular Name: 4-[[(5Z)-5-[(4-benzyloxyphenyl)methylene]-2,4-dioxo-thiazolidin-3-yl]methyl]benzoic 4-[[(5Z)-5-[(4-benzyloxyphenyl)m…

Find On: PubMed — Wikipedia — Google

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) 4.71 12.08 -55.76 0 6 -1 88 444.488 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPAC-1-E Low Molecular Weight Phosphotyrosine Protein Phosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 5600 0.23 Binding ≤ 10μM
PTN1-1-E Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic Eukaryotes 1600 0.25 Binding ≤ 10μM
PTN2-1-E T-cell Protein-tyrosine Phosphatase (cluster #1 Of 3), Eukaryotic Eukaryotes 1300 0.26 Binding ≤ 10μM
PTPRB-1-E Receptor-type Tyrosine-protein Phosphatase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 400 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTPRB_HUMAN P23467 Receptor-type Tyrosine-protein Phosphatase Beta, Human 400 0.28 Binding ≤ 1μM
PPAC_HUMAN P24666 Low Molecular Weight Phosphotyrosine Protein Phosphatase, Human 2500 0.25 Binding ≤ 10μM
PTN1_HUMAN P18031 Protein-tyrosine Phosphatase 1B, Human 1600 0.25 Binding ≤ 10μM
PTPRB_HUMAN P23467 Receptor-type Tyrosine-protein Phosphatase Beta, Human 400 0.28 Binding ≤ 10μM
PTN2_HUMAN P17706 T-cell Protein-tyrosine Phosphatase, Human 1300 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Growth hormone receptor signaling
Integrin alphaIIb beta3 signaling
Regulation of IFNA signaling
Regulation of IFNG signaling

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