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

    Analogs

    3072905
    3072905
    8737440
    8737440

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    And 9 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PYGM-3-E Muscle Glycogen Phosphorylase (cluster #3 Of 4), Eukaryotic Eukaryotes 5400 0.37 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) 2.72 6.55 -6.66 2 4 0 58 268.316 3 ↓

    Analogs

    3978828
    3978828
    3978829
    3978829
    4273370
    4273370
    4273371
    4273371
    4273372
    4273372

    Draw Identity 99% 90% 80% 70%

    Popular Name: Ursolic acid Ursolic acid

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    And 19 More

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    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 1900 0.24 Binding ≤ 10μM
    DPOLB-2-E DNA Polymerase Beta (cluster #2 Of 3), Eukaryotic Eukaryotes 8500 0.22 Binding ≤ 10μM
    PA21B-3-E Phospholipase A2 Group 1B (cluster #3 Of 3), Eukaryotic Eukaryotes 2900 0.23 Binding ≤ 10μM
    PA2A-1-E Phospholipase A2 Isozyme PLA-A (cluster #1 Of 2), Eukaryotic Eukaryotes 2500 0.24 Binding ≤ 10μM
    PA2GA-3-E Phospholipase A2, Membrane Associated (cluster #3 Of 3), Eukaryotic Eukaryotes 3 0.36 Binding ≤ 10μM
    PA2GD-2-E Group IID Secretory Phospholipase A2 (cluster #2 Of 3), Eukaryotic Eukaryotes 2500 0.24 Binding ≤ 10μM
    PA2GE-2-E Group IIE Secretory Phospholipase A2 (cluster #2 Of 2), Eukaryotic Eukaryotes 3 0.36 Binding ≤ 10μM
    PA2GF-2-E Group IIF Secretory Phospholipase A2 (cluster #2 Of 2), Eukaryotic Eukaryotes 3 0.36 Binding ≤ 10μM
    PTN1-3-E Protein-tyrosine Phosphatase 1B (cluster #3 Of 4), Eukaryotic Eukaryotes 3900 0.23 Binding ≤ 10μM
    PTN2-2-E T-cell Protein-tyrosine Phosphatase (cluster #2 Of 3), Eukaryotic Eukaryotes 6700 0.22 Binding ≤ 10μM
    PYGM-1-E Muscle Glycogen Phosphorylase (cluster #1 Of 4), Eukaryotic Eukaryotes 9000 0.21 Binding ≤ 10μM
    Q7T3S7-1-E Phospholipase A2 (cluster #1 Of 2), Eukaryotic Eukaryotes 2500 0.24 Binding ≤ 10μM
    GPBAR-2-E G-protein Coupled Bile Acid Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 1430 0.25 Functional ≤ 10μM
    NR1H4-2-E Bile Acid Receptor FXR (cluster #2 Of 2), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
    Z50418-4-O Trypanosoma Brucei (cluster #4 Of 6), Other Other 4000 0.23 Functional ≤ 10μM
    Z50420-3-O Trypanosoma Brucei Brucei (cluster #3 Of 7), Other Other 2200 0.24 Functional ≤ 10μM
    Z50466-5-O Trypanosoma Cruzi (cluster #5 Of 8), Other Other 4000 0.23 Functional ≤ 10μM
    Z50472-2-O Toxoplasma Gondii (cluster #2 Of 4), Other Other 1000 0.25 Functional ≤ 10μM
    Z50607-8-O Human Immunodeficiency Virus 1 (cluster #8 Of 10), Other Other 1800 0.24 Functional ≤ 10μM
    Z80897-2-O H9 (T-lymphoid Cells) (cluster #2 Of 2), Other Other 4400 0.23 ADME/T ≤ 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) 6.79 12.05 -49.78 1 3 -1 60 455.703 1 ↓
    Lo Low (pH 4.5-6) 6.79 10.29 -5.45 2 3 0 58 456.711 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(3-chlorophenyl)-5-(2-naphthyl)-1,3,4-oxadiazole 2-(3-chlorophenyl)-5-(2-naphthyl…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PYGM-2-E Muscle Glycogen Phosphorylase (cluster #2 Of 4), Eukaryotic Eukaryotes 3200 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) 5.56 -0.98 -8.13 0 3 0 38 306.752 2 ↓

    Analogs

    36889913
    36889913

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-methoxyphenyl)-3-(3-nitrophenyl)-propane-1,3-dione 1-(4-methoxyphenyl)-3-(3-nitroph…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PYGM-3-E Muscle Glycogen Phosphorylase (cluster #3 Of 4), Eukaryotic Eukaryotes 4100 0.34 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 9.12 -39.17 0 6 -1 95 298.274 5 ↓
    Mid Mid (pH 6-8) 2.87 3.28 -29.1 0 6 0 89 299.282 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-benzyl-N'-(2-chlorophenyl)oxamide N-benzyl-N'-(2-chlorophenyl)oxamide

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    And 3 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PYGM-3-E Muscle Glycogen Phosphorylase (cluster #3 Of 4), Eukaryotic Eukaryotes 3000 0.39 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) 2.25 -1.88 -5.94 2 4 0 58 288.734 4 ↓

    Analogs

    6361525
    6361525
    6361554
    6361554
    6361564
    6361564
    12504403
    12504403

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    Popular Name: AT-2101 AT-2101

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    And 1 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    BGAL-1-E Beta-galactosidase (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.76 Binding ≤ 10μM
    GLCM-2-E Glucosylceramidase (cluster #2 Of 2), Eukaryotic Eukaryotes 63 1.01 Binding ≤ 10μM
    GLCM-2-E Glucosylceramidase (cluster #2 Of 2), Eukaryotic Eukaryotes 110 0.97 Binding ≤ 10μM
    LPH-1-E Lactase-glycosylceramidase (cluster #1 Of 1), Eukaryotic Eukaryotes 120 0.97 Binding ≤ 10μM
    PYGL-2-E Liver Glycogen Phosphorylase (cluster #2 Of 2), Eukaryotic Eukaryotes 680 0.86 Binding ≤ 10μM
    PYGM-4-E Muscle Glycogen Phosphorylase (cluster #4 Of 4), Eukaryotic Eukaryotes 760 0.86 Binding ≤ 10μM
    BGLS-1-B Beta-glucosidase (cluster #1 Of 1), Bacterial Bacteria 7 1.14 Binding ≤ 10μM
    Z100498-1-O Hepatocytes (cluster #1 Of 2), Other Other 3000 0.77 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) -1.94 -8.84 -42.06 5 4 1 77 148.182 1 ↓

    Analogs

    2585429
    2585429
    15657755
    15657755

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1,4-Dideoxy-1,4-Imino-D-Arabinitol 1,4-Dideoxy-1,4-Imino-D-Arabinitol

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    B1WC34-1-E Alpha-glucosidase II Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 9700 0.78 Binding ≤ 10μM
    D3ZAN3-1-E Alpha-glucosidase II (cluster #1 Of 1), Eukaryotic Eukaryotes 9700 0.78 Binding ≤ 10μM
    GDE-1-E Glycogen Debranching Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 8400 0.79 Binding ≤ 10μM
    PYGL-2-E Liver Glycogen Phosphorylase (cluster #2 Of 2), Eukaryotic Eukaryotes 370 1.00 Binding ≤ 10μM
    PYGM-4-E Muscle Glycogen Phosphorylase (cluster #4 Of 4), Eukaryotic Eukaryotes 396 1.00 Binding ≤ 10μM
    SUIS-1-E Sucrase-isomaltase (cluster #1 Of 3), Eukaryotic Eukaryotes 5800 0.81 Binding ≤ 10μM
    AMYG-1-F Glucoamylase, Intracellular Sporulation-specific (cluster #1 Of 1), Fungal Fungi 150 1.06 Binding ≤ 10μM
    MAL62-2-F Alpha-glucosidase MAL62 (cluster #2 Of 2), Fungal Fungi 840 0.95 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 -7.72 -35.36 5 4 1 77 134.155 1 ↓
    Hi High (pH 8-9.5) -1.98 -9.1 -6.49 4 4 0 73 133.147 1 ↓

    Analogs

    12502895
    12502895
    12502898
    12502898
    3872695
    3872695
    3872694
    3872694

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-2-hydroxymethyl-7,9-diaza-1-oxa-spiro[4,5]decane-10-one-8-thione (2R,3S,4S,5R,6S)-3,4,5-Trihydrox…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PYGB-1-E Brain Glycogen Phosphorylase (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.42 Binding ≤ 10μM
    PYGL-2-E Liver Glycogen Phosphorylase (cluster #2 Of 2), Eukaryotic Eukaryotes 5100 0.44 Binding ≤ 10μM
    PYGM-4-E Muscle Glycogen Phosphorylase (cluster #4 Of 4), Eukaryotic Eukaryotes 5100 0.44 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) -2.78 -16.4 -14.06 6 8 0 131 264.259 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1'H-Oleana-12-eno[3,2-c]pyrazol-28-oic acid 1'H-Oleana-12-eno[3,2-c]pyrazol-…

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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 1650 0.23 Binding ≤ 10μM
    PTN2-2-E T-cell Protein-tyrosine Phosphatase (cluster #2 Of 3), Eukaryotic Eukaryotes 5990 0.21 Binding ≤ 10μM
    PYGM-1-E Muscle Glycogen Phosphorylase (cluster #1 Of 4), Eukaryotic Eukaryotes 7800 0.20 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) 7.17 13.92 -54.4 1 4 -1 69 477.713 1 ↓
    Mid Mid (pH 6-8) 7.17 14.08 -75.61 2 4 0 70 478.721 1 ↓

    Analogs

    4273445
    4273445
    4273446
    4273446
    14980264
    14980264
    14980267
    14980267

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    Popular Name: DNC014110 DNC014110

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PYGM-1-E Muscle Glycogen Phosphorylase (cluster #1 Of 4), Eukaryotic Eukaryotes 6250 0.21 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) 5.81 9.46 -54.93 2 4 -1 81 471.702 1 ↓
    Lo Low (pH 4.5-6) 5.81 7.48 -6.86 3 4 0 78 472.71 1 ↓

    Parameters Provided:

    annotation.name = PYGM_RABIT
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 'PYGM\\_RABIT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

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

    Embed Link to Results

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