UCSF
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Analogs

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Popular Name: 8-[2-(3-iodophenyl)thiazol-4-yl]dibenzofuran-4-carboxylic 8-[2-(3-iodophenyl)thiazol-4-yl]…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTN1-1-E Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic Eukaryotes 425 0.32 Binding ≤ 10μM
PTN2-1-E T-cell Protein-tyrosine Phosphatase (cluster #1 Of 3), Eukaryotic Eukaryotes 1615 0.29 Binding ≤ 10μM
PTPRF-1-E Receptor-type Tyrosine-protein Phosphatase F (LAR) (cluster #1 Of 2), Eukaryotic Eukaryotes 2102 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTN1_HUMAN P18031 Protein-tyrosine Phosphatase 1B, Human 425 0.32 Binding ≤ 1μM
PTN1_HUMAN P18031 Protein-tyrosine Phosphatase 1B, Human 425 0.32 Binding ≤ 10μM
PTPRF_HUMAN P10586 Receptor-type Tyrosine-protein Phosphatase F (LAR), Human 2102 0.28 Binding ≤ 10μM
PTN2_HUMAN P17706 T-cell Protein-tyrosine Phosphatase, Human 1615 0.29 Binding ≤ 10μM

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) 6.65 13.89 -62.29 0 4 -1 66 496.305 3 ↓

Analogs

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Popular Name: 8-[2-(4-aminophenyl)thiazol-4-yl]dibenzofuran-4-carboxylic 8-[2-(4-aminophenyl)thiazol-4-yl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTN1-1-E Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic Eukaryotes 185 0.34 Binding ≤ 10μM
PTN2-1-E T-cell Protein-tyrosine Phosphatase (cluster #1 Of 3), Eukaryotic Eukaryotes 693 0.31 Binding ≤ 10μM
PTPRF-1-E Receptor-type Tyrosine-protein Phosphatase F (LAR) (cluster #1 Of 2), Eukaryotic Eukaryotes 2686 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTN1_HUMAN P18031 Protein-tyrosine Phosphatase 1B, Human 185 0.34 Binding ≤ 1μM
PTN2_HUMAN P17706 T-cell Protein-tyrosine Phosphatase, Human 693 0.31 Binding ≤ 1μM
PTN1_HUMAN P18031 Protein-tyrosine Phosphatase 1B, Human 185 0.34 Binding ≤ 10μM
PTPRF_HUMAN P10586 Receptor-type Tyrosine-protein Phosphatase F (LAR), Human 2686 0.28 Binding ≤ 10μM
PTN2_HUMAN P17706 T-cell Protein-tyrosine Phosphatase, Human 693 0.31 Binding ≤ 10μM

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) 4.67 10.68 -62.72 2 5 -1 92 385.424 3 ↓

Analogs

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Popular Name: 8-[2-(p-tolyl)thiazol-4-yl]dibenzofuran-4-carboxylic 8-[2-(p-tolyl)thiazol-4-yl]diben…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTN1-1-E Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic Eukaryotes 515 0.31 Binding ≤ 10μM
PTN2-1-E T-cell Protein-tyrosine Phosphatase (cluster #1 Of 3), Eukaryotic Eukaryotes 730 0.31 Binding ≤ 10μM
PTPRF-1-E Receptor-type Tyrosine-protein Phosphatase F (LAR) (cluster #1 Of 2), Eukaryotic Eukaryotes 1323 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTN1_HUMAN P18031 Protein-tyrosine Phosphatase 1B, Human 515 0.31 Binding ≤ 1μM
PTN2_HUMAN P17706 T-cell Protein-tyrosine Phosphatase, Human 730 0.31 Binding ≤ 1μM
PTN1_HUMAN P18031 Protein-tyrosine Phosphatase 1B, Human 515 0.31 Binding ≤ 10μM
PTPRF_HUMAN P10586 Receptor-type Tyrosine-protein Phosphatase F (LAR), Human 1323 0.29 Binding ≤ 10μM
PTN2_HUMAN P17706 T-cell Protein-tyrosine Phosphatase, Human 730 0.31 Binding ≤ 10μM

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) 6.04 13.48 -61.8 0 4 -1 66 384.436 3 ↓

Parameters Provided:

ring.id = 364889
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 364889 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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