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

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2S)-2-[(5Z)-4-keto-5-[2-keto-1-(2-keto-2-oxido-ethyl)indolin-3-ylidene]-2-thioxo-thiazolidin-3-yl]- (2S)-2-[(5Z)-4-keto-5-[2-keto-1-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 3000 0.24 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) 2.01 13.26 -104.04 0 8 -2 124 466.496 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-[(5Z)-4-keto-5-[2-keto-1-(2-keto-2-oxido-ethyl)indolin-3-ylidene]-2-thioxo-thiazolidin-3-yl]- (2R)-2-[(5Z)-4-keto-5-[2-keto-1-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 3000 0.24 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) 2.01 13.18 -99.41 0 8 -2 124 466.496 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[5-[2-(2-carboxylatophenyl)-1,3-diketo-isoindoline-5-carbonyl]-1,3-diketo-isoindolin-2-yl]benzoate 2-[5-[2-(2-carboxylatophenyl)-1,…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.17 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) 4.54 15.4 -144.36 0 11 -2 175 558.458 6 ↓

    Analogs

    33752780
    33752780
    34690901
    34690901
    34847712
    34847712
    34847714
    34847714
    34861957
    34861957

    Draw Identity 99% 90% 80% 70%

    Popular Name: {3-[3-(4-bromophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetic acid {3-[3-(4-bromophenyl)-4-oxo-2-th…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 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) 3.06 -1.48 -49.94 0 6 -1 84 474.337 3 ↓

    Analogs

    4577791
    4577791

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[4-(4-carboxylatophenoxy)phenyl]sulfonylphthalate 4-[4-(4-carboxylatophenoxy)pheny…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-2-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic Eukaryotes 10000 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) 3.52 10.17 -199.49 0 9 -3 164 439.377 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[[4-(4-carboxylatophenyl)sulfonylphenyl]thio]phthalate 4-[[4-(4-carboxylatophenyl)sulfo…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-2-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic Eukaryotes 6000 0.24 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) 3.73 11.44 -194.38 0 8 -3 155 455.445 7 ↓
    Lo Low (pH 4.5-6) 3.73 9.46 -111.23 1 8 -2 152 456.453 7 ↓

    Analogs

    4025278
    4025278
    4025279
    4025279
    4025280
    4025280

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-carboxyethoxy-oxo-BLAHyl)oxypropanoic 2-(1-carboxyethoxy-oxo-BLAHyl)ox…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-2-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 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) 2.36 2.64 -96.51 0 8 -2 128 370.313 6 ↓

    Analogs

    4025279
    4025279
    4025280
    4025280
    4025276
    4025276

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-carboxyethoxy-oxo-BLAHyl)oxypropanoic 2-(1-carboxyethoxy-oxo-BLAHyl)ox…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-2-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 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) 2.36 2.6 -113.15 0 8 -2 128 370.313 6 ↓

    Analogs

    4025280
    4025280
    4025276
    4025276

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-carboxyethoxy-oxo-BLAHyl)oxypropanoic 2-(1-carboxyethoxy-oxo-BLAHyl)ox…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-2-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 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) 2.36 2.65 -98.52 0 8 -2 128 370.313 6 ↓

    Analogs

    4025276
    4025276

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(1-carboxyethoxy-oxo-BLAHyl)oxypropanoic 2-(1-carboxyethoxy-oxo-BLAHyl)ox…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-2-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 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) 2.36 2.63 -96.65 0 8 -2 128 370.313 6 ↓

    Analogs

    5361010
    5361010
    5361014
    5361014
    37035680
    37035680
    37035721
    37035721

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-2-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic Eukaryotes 5000 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) 2.51 11.51 -101.45 0 6 -2 107 368.432 9 ↓

    Analogs

    33321721
    33321721

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[(3Z)-2-oxo-3-(4-oxo-2-thioxo-thiazolidin-5-ylidene)indolin-1-yl]acetic 2-[(3Z)-2-oxo-3-(4-oxo-2-thioxo-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 9000 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) 1.36 4.37 -94.74 0 6 -2 98 318.335 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[5-[1-(carboxymethyl)-2-oxo-indolin-3-ylidene]-4-oxo-2-thioxo-thiazolidin-3-yl]propanoic 3-[5-[1-(carboxymethyl)-2-oxo-in…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 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) 0.49 -1.75 -97.35 0 8 -2 124 390.398 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[1-(carboxymethyl)-5-(4-fluorophenyl)-pyrrol-2-yl]propanoic 3-[1-(carboxymethyl)-5-(4-fluoro…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 9000 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) 1.94 10.34 -110.31 0 5 -2 85 289.262 6 ↓

    Analogs

    19737349
    19737349
    42175691
    42175691
    42175694
    42175694

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2'-(2,2'-(Butane-1,4-diyl)bis(1H-benzo[d]-imidazole-2,1-diyl))diacetic acid 2,2'-(2,2'-(Butane-1,4-diyl)bis(…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 4000 0.25 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) 2.28 -0.22 -108.35 0 8 -2 115 404.426 9 ↓

    Analogs

    39371073
    39371073

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(2-carboxyphenoxy)methyl]-2,5-dimethyl-furan-3-carboxylic 4-[(2-carboxyphenoxy)methyl]-2,5…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-2-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic Eukaryotes 6000 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) 2.42 1.9 -136.46 0 6 -2 102 288.255 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[1-(carboxymethyl)-5-(4-chlorophenyl)-pyrrol-2-yl]propanoic 3-[1-(carboxymethyl)-5-(4-chloro…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 4000 0.36 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) 2.45 10.79 -110.34 0 5 -2 85 305.717 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[1-(carboxymethyl)-5-(2-thienyl)pyrrol-2-yl]propanoic 3-[1-(carboxymethyl)-5-(2-thieny…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 9000 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) 1.56 0.73 -118.16 0 5 -2 85 277.301 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[5-[[3-(carboxymethyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]methyl]-2-furyl]benzoic 3-[5-[[3-(carboxymethyl)-4-oxo-2…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 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) 2.20 -0.25 -163.62 0 7 -2 115 387.394 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2E)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methylene]undecanoic (2E)-2-[(4,5-dimethoxy-2-methyl-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    APEX1-1-E DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 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) 5.03 11.93 -50.77 0 6 -1 93 377.457 12 ↓

    Parameters Provided:

    annotation.name = APEX1_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 'APEX1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?annotation.name=APEX1_HUMAN&filter.purchasability=purchasable

    Embed Link to Results

  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245