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

    Analogs

    12412011
    12412011

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5E)-5-(4-ethoxy-3-methyl-benzylidene)-2-phenyl-2-thiazolin-4-one (5E)-5-(4-ethoxy-3-methyl-benzyl…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 10000 0.30 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) 4.76 -0.57 -14.27 0 3 0 39 323.417 4 ↓

    Analogs

    12436534
    12436534

    Draw Identity 99% 90% 80% 70%

    Popular Name: (5E)-2-pyrrolidino-5-veratrylidene-2-thiazolin-4-one (5E)-2-pyrrolidino-5-veratrylide…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 7240 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) 2.31 -1.66 -16.74 0 5 0 51 318.398 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 9 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 3470 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) 4.16 1.62 -12.98 1 6 0 84 334.759 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 9550 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) 5.08 2.95 -15.93 0 5 0 72 336.141 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 12 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 5010 0.32 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) 3.43 1.45 -18.03 1 7 0 93 336.731 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 5-[4-(diethylamino)benzylidene]-2-(1-piperidinyl)-1,3-thiazol-4(5H)-one 5-[4-(diethylamino)benzylidene]-…

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    Vendors

    And 8 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 6170 0.30 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) 4.02 -1.11 -14.5 0 4 0 36 343.496 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 14 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 4680 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) 5.32 9.03 -6.24 0 4 0 58 329.57 3 ↓
    Ref Reference (pH 7) 5.32 10.3 -11.95 0 4 0 58 329.57 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 5-(2,5-dimethoxybenzylidene)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate ethyl 5-(2,5-dimethoxybenzyliden…

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    Vendors

    And 4 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 3630 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) 2.22 6.41 -17.45 1 6 0 78 317.341 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4E)-4-[4-(diethylamino)benzylidene]-2-phenyl-2-oxazolin-5-one (4E)-4-[4-(diethylamino)benzylid…

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    Vendors

    And 2 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 3310 0.32 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) 4.17 1.15 -10.07 0 4 0 46 320.392 5 ↓

    Analogs

    21800629
    21800629

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 9 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    INHA-3-B Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial Bacteria 7080 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) 4.06 1.17 -18.16 1 6 0 84 341.15 4 ↓

    Parameters Provided:

    target.name = INHA-3-B
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 'INHA-3-B' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?target.name=INHA-3-B&target.type=B10&filter.purchasability=purchasable

    Embed Link to Results

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