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

    Analogs

    Draw Identity 99% 90% 80% 70%

    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

    Draw Identity 99% 90% 80% 70%

    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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    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

    Draw Identity 99% 90% 80% 70%

    Popular Name: Enoxolone Enoxolone

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    And 43 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    DHI1-2-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 5 0.34 Binding ≤ 10μM
    DHI2-1-E 11-beta-hydroxysteroid Dehydrogenase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 257 0.27 Binding ≤ 10μM
    KPCL-1-E Protein Kinase C Eta (cluster #1 Of 4), Eukaryotic Eukaryotes 250 0.27 Binding ≤ 10μM
    PTN11-2-E Protein-tyrosine Phosphatase 2C (cluster #2 Of 3), Eukaryotic Eukaryotes 9600 0.21 Binding ≤ 10μM
    Z80418-3-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #3 Of 9), Other Other 1300 0.24 Functional ≤ 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) 5.62 11.48 -62.34 1 4 -1 77 469.686 1 ↓
    Ref Reference (pH 7) 5.62 11.49 -61.44 1 4 -1 77 469.686 1 ↓
    Lo Low (pH 4.5-6) 5.62 9.52 -14.08 2 4 0 75 470.694 1 ↓

    Analogs

    34690226
    34690226
    34690227
    34690227
    34690228
    34690228

    Draw Identity 99% 90% 80% 70%

    Popular Name: Celastrol Celastrol

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    And 6 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    HSF1-1-E Heat Shock Factor Protein 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2600 0.24 Binding ≤ 10μM
    PTN11-2-E Protein-tyrosine Phosphatase 2C (cluster #2 Of 3), Eukaryotic Eukaryotes 3300 0.23 Binding ≤ 10μM
    Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 80 0.30 Functional ≤ 10μM
    Z80387-2-O PC-12 (Adrenal Phaeochromacytoma Cells) (cluster #2 Of 3), Other Other 3150 0.23 Functional ≤ 10μM
    Z80418-3-O RAW264.7 (Monocytic-macrophage Leukemia Cells) (cluster #3 Of 9), Other Other 270 0.28 Functional ≤ 10μM
    Z81170-2-O LNCaP (Prostate Carcinoma) (cluster #2 Of 5), Other Other 2500 0.24 Functional ≤ 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) 5.06 12.71 -61.14 1 4 -1 77 449.611 1 ↓
    Lo Low (pH 4.5-6) 5.06 10.72 -16.51 2 4 0 75 450.619 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    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 ↓

    Analogs

    4610915
    4610915
    5716755
    5716755
    33838224
    33838224

    Draw Identity 99% 90% 80% 70%

    Popular Name: 8-HYDROXY-7-(6-SULFO-2-NAPHTHYLAZO)-5-QUINOLINESULFONIC ACID DISODIUM SALT 8-HYDROXY-7-(6-SULFO-2-NAPHTHYLA…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTN11-3-E Protein-tyrosine Phosphatase 2C (cluster #3 Of 3), Eukaryotic Eukaryotes 318 0.29 Binding ≤ 10μM
    PTN11-3-E Protein-tyrosine Phosphatase 2C (cluster #3 Of 3), Eukaryotic Eukaryotes 320 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) -0.81 -0.91 -96.08 1 10 -2 172 457.445 4 ↓
    Lo Low (pH 4.5-6) -0.81 -0.56 -98.42 2 10 -1 173 458.453 4 ↓

    Parameters Provided:

    annotation.name = PTN11_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'PTN11\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?annotation.name=PTN11_HUMAN&filter.purchasability=purchasable

    Embed Link to Results

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