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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: 1-(2-Hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one 1-(2-Hydroxy-5-(trifluoromethyl)…

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    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    HS90A-2-E Heat Shock Protein HSP 90-alpha (cluster #2 Of 4), Eukaryotic Eukaryotes 3320 0.31 Binding ≤ 10μM
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5129 0.30 Binding ≤ 10μM
    Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 7943 0.29 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) 4.31 6.12 -11.71 2 4 0 58 362.229 3 ↓
    Mid Mid (pH 6-8) 4.31 6.89 -42.7 1 4 -1 61 361.221 3 ↓

    Analogs

    18042311
    18042311
    383803
    383803

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(2-hydroxy-5-methyl-phenyl)benzamide N-(2-hydroxy-5-methyl-phenyl)ben…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 9333 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) 2.99 4.73 -13.84 2 3 0 49 227.263 2 ↓

    Analogs

    21815380
    21815380

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-N-(5-chloro-2-hydroxy-phenyl)-2-methoxy-benzamide 5-chloro-N-(5-chloro-2-hydroxy-p…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.60 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) 4.43 5.25 -10.44 2 4 0 59 312.152 3 ↓
    Hi High (pH 8-9.5) 4.43 6.01 -44.05 1 4 -1 61 311.144 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-N-(2-hydroxy-5-methyl-phenyl)-2-methoxy-benzamide 5-chloro-N-(2-hydroxy-5-methyl-p…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 28 0.53 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) 4.20 5.71 -14.16 2 4 0 59 291.734 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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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
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 447 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) 3.26 5 -20.99 2 7 0 104 288.259 4 ↓
    Hi High (pH 8-9.5) 3.26 6.02 -66.25 1 7 -1 107 287.251 4 ↓

    Analogs

    21815380
    21815380

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-N-(5-chloro-2-hydroxy-phenyl)-2-hydroxy-benzamide 5-chloro-N-(5-chloro-2-hydroxy-p…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 372 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) 4.36 3.23 -9.17 3 4 0 70 298.125 2 ↓
    Hi High (pH 8-9.5) 4.36 4.23 -48.24 2 4 -1 72 297.117 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-N-(2-methyl-6-nitro-phenyl)-benzamide 2-hydroxy-N-(2-methyl-6-nitro-ph…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 251 0.46 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) 3.63 0.45 -12.94 2 6 0 95 272.26 3 ↓

    Analogs

    37062035
    37062035

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-chloro-2-hydroxy-N-(2-methoxy-4-nitro-phenyl)-benzamide 5-chloro-2-hydroxy-N-(2-methoxy-…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 692 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) 3.91 -0.3 -9.47 2 7 0 104 322.704 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: benzotriazol-1-yl-(2-hydroxyphenyl)-methanone benzotriazol-1-yl-(2-hydroxyphen…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1549 0.45 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) 2.77 0.19 -11.55 1 5 0 68 239.234 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-(2-nitrophenyl)-2-hydroxybenzamide N1-(2-nitrophenyl)-2-hydroxybenz…

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    And 7 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3090 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) 3.23 0.18 -11.84 2 6 0 95 258.233 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: BRD-K64310881-001-06-2 BRD-K64310881-001-06-2

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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
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3090 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) 4.15 5.65 -12.4 2 4 0 59 291.734 4 ↓
    Hi High (pH 8-9.5) 4.15 6.4 -46.36 1 4 -1 61 290.726 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-N-(4-methyl-2-nitro-phenyl)-benzamide 2-hydroxy-N-(4-methyl-2-nitro-ph…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 2512 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) 3.65 0.44 -10.55 2 6 0 95 272.26 3 ↓

    Analogs

    5915889
    5915889
    5916419
    5916419

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-hydroxy-N-(2-methoxy-4-nitro-phenyl)benzamide 2-hydroxy-N-(2-methoxy-4-nitro-p…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 191 0.45 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) 3.26 5.07 -11.06 2 7 0 104 288.259 4 ↓
    Hi High (pH 8-9.5) 3.26 6.08 -50.21 1 7 -1 107 287.251 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N1-[2-nitro-4-(trifluoromethyl)phenyl]-2-hydroxybenzamide N1-[2-nitro-4-(trifluoromethyl)p…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3467 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) 4.10 2.28 -8.73 2 6 0 95 326.23 4 ↓

    Parameters Provided:

    target.name = KCMA1-1-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 'KCMA1-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?target.name=KCMA1-1-E&target.type=B10&filter.purchasability=purchasable

    Embed Link to Results

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