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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

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    Popular Name: Ro-21-8837-001 Ro-21-8837-001

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTN11-1-E Protein-tyrosine Phosphatase 2C (cluster #1 Of 3), Eukaryotic Eukaryotes 8400 0.22 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) 4.08 1.13 -150.76 0 7 -2 101 518.374 8 ↓

    Analogs

    20523061
    20523061
    8993758
    8993758

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    And 5 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTN11-1-E Protein-tyrosine Phosphatase 2C (cluster #1 Of 3), Eukaryotic Eukaryotes 700 0.26 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) 1.12 -5.25 -47.72 1 11 -1 162 464.439 6 ↓

    Analogs

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    Popular Name: 1-(2-methyl-4,5-disulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid 1-(2-methyl-4,5-disulfophenyl)-5…

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    Vendors

    And 2 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTN11-1-E Protein-tyrosine Phosphatase 2C (cluster #1 Of 3), Eukaryotic Eukaryotes 8300 0.30 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) -4.06 -10.84 -177.64 0 11 -3 187 375.316 4 ↓

    Analogs

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    Popular Name: 3-[[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrimido[5,6-e][1,2,4]triazine-5,7-diamine 3-[[4-[(4-phenylphenyl)methyl]pi…

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    Vendors

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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 8000 0.22 Binding ≤ 10μM
    PTN11-1-E Protein-tyrosine Phosphatase 2C (cluster #1 Of 3), Eukaryotic Eukaryotes 5000 0.23 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) 2.00 8.12 -50.25 5 9 1 124 428.524 5 ↓
    Mid Mid (pH 6-8) 2.00 8.06 -51.54 5 9 1 124 428.524 5 ↓
    Mid Mid (pH 6-8) 2.00 5.74 -17.27 4 9 0 123 427.516 5 ↓

    Parameters Provided:

    target.name = PTN11-1-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 'PTN11-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?target.name=PTN11-1-E&target.type=B10&filter.purchasability=purchasable

    Embed Link to Results

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