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

    Analogs

    5344304
    5344304
    17030884
    17030884
    17030885
    17030885

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Vendors

    And 5 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.33 Binding ≤ 10μM
    2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.33 Binding ≤ 10μM
    PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.33 Binding ≤ 10μM
    PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.33 Binding ≤ 10μM
    PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.33 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) 1.19 -2.31 -127.08 1 7 -2 118 301.254 4 ↓

    Analogs

    17030884
    17030884
    17030885
    17030885
    3194801
    3194801

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    And 5 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.33 Binding ≤ 10μM
    2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.33 Binding ≤ 10μM
    PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.33 Binding ≤ 10μM
    PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.33 Binding ≤ 10μM
    PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.33 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) 1.19 -1.99 -133.73 1 7 -2 118 301.254 4 ↓

    Analogs

    5344474
    5344474
    17023382
    17023382
    17023385
    17023385

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    And 6 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.35 Binding ≤ 10μM
    2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.35 Binding ≤ 10μM
    PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.35 Binding ≤ 10μM
    PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.35 Binding ≤ 10μM
    PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.35 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) 1.98 -1.65 -57.86 1 5 -1 78 292.698 3 ↓

    Analogs

    17023382
    17023382
    17023385
    17023385
    5344471
    5344471

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Vendors

    And 6 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.35 Binding ≤ 10μM
    2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.35 Binding ≤ 10μM
    PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.35 Binding ≤ 10μM
    PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.35 Binding ≤ 10μM
    PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 9200 0.35 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) 1.98 -2.06 -54.77 1 5 -1 78 292.698 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5R,6R)-6-[(3-methoxycarbonylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5R,6R)-6-[(3-methoxycarbo…

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    Vendors

    And 1 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
    2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
    PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
    PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
    PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 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) 1.47 4.71 -56.66 1 7 -1 105 318.305 5 ↓
    Lo Low (pH 4.5-6) 1.47 3.59 -14.53 2 7 0 102 319.313 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5R,6S)-6-[(3-methoxycarbonylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-5-carboxylic (1R,4S,5R,6S)-6-[(3-methoxycarbo…

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    Vendors

    And 1 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
    2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
    PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
    PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 0.31 Binding ≤ 10μM
    PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 7700 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) 1.47 5.45 -66.85 1 7 -1 105 318.305 5 ↓
    Lo Low (pH 4.5-6) 1.47 4.33 -31.29 2 7 0 102 319.313 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5R,6S)-6-(dimethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-carboxylic (1R,4S,5R,6S)-6-(dimethylcarbamo…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.51 Binding ≤ 10μM
    2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.51 Binding ≤ 10μM
    PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.51 Binding ≤ 10μM
    PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.51 Binding ≤ 10μM
    PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.51 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) -0.59 2.69 -60.54 0 5 -1 70 210.209 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1R,4S,5R,6R)-6-(dimethylcarbamoyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-carboxylic (1R,4S,5R,6R)-6-(dimethylcarbamo…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.51 Binding ≤ 10μM
    2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.51 Binding ≤ 10μM
    PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.51 Binding ≤ 10μM
    PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.51 Binding ≤ 10μM
    PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.51 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) -0.59 2.23 -54.03 0 5 -1 70 210.209 2 ↓

    Analogs

    36175852
    36175852
    8674160
    8674160
    8143882
    8143882

    Draw Identity 99% 90% 80% 70%

    Popular Name: cantharidin cantharidin

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    2A5A-1-E Serine/threonine Protein Phosphatase 2A, 56 KDa Regulatory Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.62 Binding ≤ 10μM
    2AAA-1-E Serine/threonine Protein Phosphatase 2A, 65 KDa Regulatory Subunit A, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.51 Binding ≤ 10μM
    2ABG-1-E Serine/threonine Protein Phosphatase 2A, 55 KDa Regulatory Subunit B, Gamma Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.62 Binding ≤ 10μM
    PP1A-1-E Serine/threonine Protein Phosphatase PP1-alpha Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.63 Binding ≤ 10μM
    PP1G-1-E Serine/threonine Protein Phosphatase PP1-gamma Catalytic Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.63 Binding ≤ 10μM
    PP2AA-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Alpha Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.62 Binding ≤ 10μM
    PP2AB-1-E Serine/threonine Protein Phosphatase 2A, Catalytic Subunit, Beta Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 65 0.72 Binding ≤ 10μM
    PPM1B-1-E Protein Phosphatase 2C Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 430 0.64 Binding ≤ 10μM
    PPM1J-1-E Protein Phosphatase 2A Catalytic Subunit Zeta (cluster #1 Of 1), Eukaryotic Eukaryotes 65 0.72 Binding ≤ 10μM
    PTN1-3-E Protein-tyrosine Phosphatase 1B (cluster #3 Of 4), Eukaryotic Eukaryotes 3600 0.54 Binding ≤ 10μM
    PTPA-1-E Protein Phosphatase 2A Regulatory Subunit B' (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.62 Binding ≤ 10μM
    Q8AWE3-1-E Serine-threonine Protein Phosphatase 2A Regulatory Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 360 0.64 Binding ≤ 10μM
    Z50425-1-O Plasmodium Falciparum (cluster #1 Of 22), Other Other 9000 0.50 Functional ≤ 10μM
    Z80001-2-O 143B (cluster #2 Of 2), Other Other 10000 0.50 Functional ≤ 10μM
    Z80166-2-O HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other Other 6400 0.52 Functional ≤ 10μM
    Z80928-4-O HCT-116 (Colon Carcinoma Cells) (cluster #4 Of 9), Other Other 9000 0.50 Functional ≤ 10μM
    Z81034-2-O A2780 (Ovarian Carcinoma Cells) (cluster #2 Of 10), Other Other 10000 0.50 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) 1.37 4.64 -10.95 0 4 0 53 196.202 0 ↓

    Parameters Provided:

    annotation.name = 2ABG_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 '2ABG\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?annotation.name=2ABG_HUMAN&filter.purchasability=purchasable

    Embed Link to Results

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