UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4261842
4261842
4803994
4803994

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Popular Name: 5-((2-hydroxy-1-naphthyl)diazenyl)-2-naphthalenesulfonic acid; 68133-05-1; nsc45576 5-((2-hydroxy-1-naphthyl)diazeny…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTPRA-2-E Receptor-type Tyrosine-protein Phosphatase Alpha (cluster #2 Of 2), Eukaryotic Eukaryotes 8100 0.26 Binding ≤ 10μM
PTPRB-1-E Receptor-type Tyrosine-protein Phosphatase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 3900 0.28 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) 3.15 -6.51 -52.22 1 6 -1 102 377.401 3 ↓

Analogs

2168323
2168323

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

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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

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 ↓

Analogs

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Popular Name: [4-[(2S)-2-(4-ethylthiazol-2-yl)-2-[[(2S)-2-methoxycarbonyl-4-methyl-pentanoyl]amino]ethyl]phenyl]su [4-[(2S)-2-(4-ethylthiazol-2-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 70 0.31 Binding ≤ 10μM
PTPRB-1-E Receptor-type Tyrosine-protein Phosphatase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 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) 1.06 5.61 -57.39 2 9 -1 138 482.604 12 ↓

Parameters Provided:

target.name = PTPRB-1-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'PTPRB-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=PTPRB-1-E&target.type=B10&filter.purchasability=purchasable

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