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

    Analogs

    475636
    475636
    4951251
    4951251
    5392779
    5392779
    6707041
    6707041

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    And 7 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-2-E Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic Eukaryotes 470 0.40 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) 3.88 7.19 -49.32 0 4 -1 61 329.426 4 ↓
    Mid Mid (pH 6-8) 4.81 7.42 -14.05 1 4 0 62 330.434 3 ↓

    Analogs

    5392779
    5392779
    6707041
    6707041
    193791
    193791

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    Vendors

    And 7 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-2-E Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic Eukaryotes 76 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) 5.25 8.1 -13.95 1 4 0 62 344.461 3 ↓
    Mid Mid (pH 6-8) 4.33 7.86 -49.38 0 4 -1 61 343.453 4 ↓

    Analogs

    1514688
    1514688
    4951251
    4951251
    703773
    703773

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-4-methyl-benzenesulfonamide N-[4-(4-chlorophenyl)thiazol-2-y…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-2-E Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic Eukaryotes 56 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) 4.56 7.71 -45.69 0 4 -1 61 363.871 4 ↓
    Mid Mid (pH 6-8) 5.49 7.94 -14.54 1 4 0 62 364.879 3 ↓

    Analogs

    6145349
    6145349

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Aminopyridine-3-carboxamide 2-Aminopyridine-3-carboxamide

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    And 3 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-2-E Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic Eukaryotes 2680 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) 2.09 5.87 -52.87 0 7 -1 112 233.159 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-4-methyl-benzenesulfonamide N-[4-(4-methoxyphenyl)thiazol-2-…

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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
    KMO-2-E Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic Eukaryotes 240 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) 4.86 6.72 -15.49 1 5 0 72 360.46 4 ↓
    Mid Mid (pH 6-8) 3.94 6.49 -48.54 0 5 -1 70 359.452 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: RO 61-8048 RO 61-8048

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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
    KMO-2-E Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic Eukaryotes 5 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) 3.01 6.41 -52.4 0 9 -1 125 420.448 7 ↓

    Analogs

    5924378
    5924378

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-methyl-N-[4-(3-nitrophenyl)thiazol-2-yl]-benzenesulfonamide 4-methyl-N-[4-(3-nitrophenyl)thi…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-2-E Kynurenine 3-monooxygenase (cluster #2 Of 2), Eukaryotic Eukaryotes 48 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) 3.81 7.88 -53.2 0 7 -1 107 374.423 5 ↓
    Lo Low (pH 4.5-6) 4.74 7.59 -18.43 1 7 0 108 375.431 4 ↓

    Parameters Provided:

    target.name = KMO-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 'KMO-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=KMO-2-E&target.type=B10&filter.purchasability=purchasable

    Embed Link to Results

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