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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: 4-(p-Tolyl)-1H-1,2,3-triazole 4-(p-Tolyl)-1H-1,2,3-triazole

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 7100 0.60 Binding ≤ 10μM
    AMPM2-2-E Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 4 0.98 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) 1.91 3.8 -6.08 1 3 0 42 159.192 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-[(2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene)methyl]benzoic acid 4-[(2,4,6-trioxotetrahydro-5(2H)…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 5000 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) 0.66 -0.38 -97.46 1 7 -2 126 258.189 2 ↓
    Mid Mid (pH 6-8) 0.66 -0.71 -92.61 1 7 -2 126 258.189 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(3-nitrobenzylidene)hexahydropyrimidine-2,4,6-trione 5-(3-nitrobenzylidene)hexahydrop…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 2000 0.42 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) 0.68 -0.24 -34.9 1 8 -1 132 260.185 2 ↓
    Mid Mid (pH 6-8) 0.69 0.32 -37.72 1 8 -1 132 260.185 2 ↓
    Mid Mid (pH 6-8) 0.23 2.19 -11.07 2 8 0 129 261.193 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-N,N-Dimethylaminobenzylidine)Barbutyric Acid 5-(4-N,N-Dimethylaminobenzylidin…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 10000 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) 0.85 -0.81 -44.22 1 6 -1 89 258.257 2 ↓
    Mid Mid (pH 6-8) 0.85 -0.68 -43.42 1 6 -1 89 258.257 2 ↓
    Mid Mid (pH 6-8) 0.40 1.9 -8.41 2 6 0 86 259.265 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-K67661078-001-01-9 BRD-K67661078-001-01-9

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 9000 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) 1.51 0.36 -44.74 1 5 -1 86 241.226 2 ↓
    Mid Mid (pH 6-8) 1.51 0.33 -44.86 1 5 -1 86 241.226 2 ↓
    Mid Mid (pH 6-8) 1.51 0.32 -45.36 1 5 -1 86 241.226 2 ↓

    Analogs

    33849788
    33849788

    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
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 2000 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) 0.81 -1.86 -41.05 1 6 -1 95 245.214 2 ↓
    Mid Mid (pH 6-8) 0.81 -1.77 -42.06 1 6 -1 95 245.214 2 ↓
    Mid Mid (pH 6-8) 0.35 0.82 -8.64 2 6 0 92 246.222 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5Z)-5-(4-fluorobenzylidene)-6-keto-2-thioxo-pyrimidin-4-olate (5Z)-5-(4-fluorobenzylidene)-6-k…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 6000 0.43 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) 1.26 2.5 -36.49 1 4 -1 69 249.246 1 ↓
    Lo Low (pH 4.5-6) 1.26 2.55 -38.34 1 4 -1 69 249.246 1 ↓
    Lo Low (pH 4.5-6) 0.80 4.22 -9.56 2 4 0 66 250.254 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4-fluorobenzylidene)hexahydropyrimidine-2,4,6-trione 5-(4-fluorobenzylidene)hexahydro…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 2000 0.47 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) 0.46 1.56 -8.42 2 5 0 83 234.186 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-(4Hydroxybenzylidene)Barbutiric Acid 5-(4Hydroxybenzylidene)Barbutiri…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 10000 0.41 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) 0.27 -3.99 -41.54 2 6 -1 106 231.187 1 ↓
    Hi High (pH 8-9.5) 0.27 -3.22 -89.45 1 6 -2 109 230.179 1 ↓
    Mid Mid (pH 6-8) -0.19 -1.33 -9.53 3 6 0 103 232.195 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,6-dihydroxy-5-[(4-nitrophenyl)methylene]pyrimidin-4-one 2,6-dihydroxy-5-[(4-nitrophenyl)…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 0.38 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) 0.71 -0.46 -38.08 1 8 -1 132 260.185 2 ↓
    Mid Mid (pH 6-8) 0.25 2.1 -13.47 2 8 0 129 261.193 2 ↓
    Mid Mid (pH 6-8) 0.71 -0.37 -38.74 1 8 -1 132 260.185 2 ↓

    Analogs

    24258146
    24258146

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-thiazol-2-ylpicolinamide N-thiazol-2-ylpicolinamide

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 8100 0.51 Binding ≤ 10μM
    CTR4-1-E Cationic Amino Acid Transporter 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.52 Binding ≤ 10μM
    AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 5000 0.53 Binding ≤ 10μM
    AMPM1-1-F Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal Fungi 7000 0.52 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) 0.71 3.35 -12.95 1 4 0 55 205.242 2 ↓
    Hi High (pH 8-9.5) 0.78 1.79 -52 0 4 -1 61 204.234 2 ↓

    Parameters Provided:

    target.name = AMPM1-2-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 'AMPM1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?target.name=AMPM1-2-E&target.type=B10&filter.purchasability=purchasable

    Embed Link to Results

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