UCSF

ZINC02434684

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2004 27 No

Popular Name: 3-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]propionate 3-[(5E)-5-[[5-(1,3-benzothiazol-…

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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) 3.14 11.71 -72.76 0 6 -1 88 415.497 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTN22-1-E Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP (cluster #1 Of 1), Eukaryotic Eukaryotes 980 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTN22_HUMAN Q9Y2R2 Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP, Human 980 0.31 Binding ≤ 1μM
PTN22_HUMAN Q9Y2R2 Hematopoietic Cell Protein-tyrosine Phosphatase 70Z-PEP, Human 980 0.31 Binding ≤ 10μM

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

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