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

    Analogs

    13776384
    13776384
    33995321
    33995321
    19526
    19526

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-amino-4-(3,4-dichlorophenyl)-4-oxo-butanoic 2-amino-4-(3,4-dichlorophenyl)-4…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 330 0.57 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) -0.33 -2 -36.65 3 4 0 84 262.092 4 ↓

    Analogs

    33995321
    33995321
    19526
    19526
    19529
    19529

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2R)-2-amino-4-(3,4-dichlorophenyl)-4-oxo-butanoic (2R)-2-amino-4-(3,4-dichlorophen…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 330 0.57 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) -0.33 4.01 -36.66 3 4 0 85 262.092 4 ↓

    Analogs

    2580311
    2580311
    2580312
    2580312
    38812520
    38812520

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

    Find On: PubMed — Wikipedia — Google

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    And 15 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 5770 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) 1.18 6.2 -49.36 0 6 -1 103 222.176 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (Z)-4-(3,4-dichlorophenyl)-4-hydroxy-2-oxo-but-3-enoic (Z)-4-(3,4-dichlorophenyl)-4-hyd…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 950 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) 1.43 8.5 -44.75 0 4 -1 74 260.052 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 4-(3,4-dichlorophenyl)-2,4-dioxobutanoate methyl 4-(3,4-dichlorophenyl)-2,…

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    And 23 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 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) 2.79 7.17 -42.16 0 4 -1 66 274.079 4 ↓
    Mid Mid (pH 6-8) 2.05 3.19 -13.63 0 4 0 60 275.087 5 ↓

    Analogs

    6092539
    6092539

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-nitrobenzoyl)alanine; (m-nitrobenzoyl)alanine; CPD-11569 (3-nitrobenzoyl)alanine; (m-nitr…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 500 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) -1.68 -1.2 -41.39 3 7 0 130 238.199 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid 4-(4-Chlorophenyl)-2,4-dioxobuta…

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    Vendors

    And 21 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 3000 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) 0.82 8.04 -46.28 0 4 -1 74 225.607 4 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 3300 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) 1.76 6.32 -42.26 0 4 -1 66 241.169 4 ↓
    Mid Mid (pH 6-8) 1.02 6.31 -13.82 0 4 0 60 242.177 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl 4-(3-chlorophenyl)-2,4-dioxobutanoate methyl 4-(3-chlorophenyl)-2,4-di…

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    And 8 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.50 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) 2.16 6.71 -46.02 0 4 -1 66 239.634 4 ↓
    Mid Mid (pH 6-8) 1.42 7.98 -13.77 0 4 0 60 240.642 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (Z)-4-(4-chloro-3-methyl-phenyl)-2-hydroxy-4-oxo-but-2-enoic (Z)-4-(4-chloro-3-methyl-phenyl)…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 1700 0.50 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) 1.20 8.62 -46.36 0 4 -1 74 239.634 4 ↓

    Analogs

    2566916
    2566916

    Draw Identity 99% 90% 80% 70%

    Popular Name: (3-nitrobenzoyl)alanine; (m-nitrobenzoyl)alanine; CPD-11569 (3-nitrobenzoyl)alanine; (m-nitr…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 900 0.50 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) -1.68 -1.2 -42.02 3 7 0 130 238.199 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 2600 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) 2.28 7.94 -37.7 0 4 -1 66 257.624 4 ↓
    Mid Mid (pH 6-8) 1.53 6.76 -13.16 0 4 0 60 258.632 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: Methyl 4-(4-bromophenyl)-2,4-dioxobutanoate Methyl 4-(4-bromophenyl)-2,4-dio…

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    And 24 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.50 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) 2.32 6.82 -43.29 0 4 -1 66 284.085 4 ↓
    Ref Reference (pH 7) 2.76 6.96 -42.01 0 4 -1 66 284.085 4 ↓
    Mid Mid (pH 6-8) 1.57 1.06 -14.29 0 4 0 60 285.093 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 1600 0.51 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) 1.65 7.45 -42.21 0 4 -1 66 223.179 4 ↓
    Mid Mid (pH 6-8) 0.90 6.27 -17.3 0 4 0 60 224.187 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3-Bromo-phenyl)-2,4-dioxo-butyric acid methyl ester 4-(3-Bromo-phenyl)-2,4-dioxo-but…

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    Vendors

    And 10 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 2100 0.50 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) 2.29 6.81 -45.9 0 4 -1 66 284.085 4 ↓
    Mid Mid (pH 6-8) 1.55 6.81 -16.35 0 4 0 60 285.093 5 ↓

    Analogs

    33933542
    33933542
    36180248
    36180248

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3,4-Difluoro-phenyl)-4-oxo-but-2-enoic acid 4-(3,4-Difluoro-phenyl)-4-oxo-bu…

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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
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 1100 0.56 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) 1.48 5.38 -44.76 0 3 -1 57 211.143 3 ↓

    Analogs

    33884549
    33884549
    36179835
    36179835

    Draw Identity 99% 90% 80% 70%

    Popular Name: (E)-4-(3,4-Dichlorophenyl)-4-oxo-2-butenoic acid; 2-Butenoic acid, 4-(3,4-dichlorophenyl)-4-oxo-, (E)-; Acide (E)4-(3,4-dichloro-phenyl)4-oxo 2-butenoique [French]; LS-47120 (E)-4-(3,4-Dichlorophenyl)-4-oxo…

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    And 1 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 900 0.56 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 0.99 -44.08 0 3 -1 57 244.053 3 ↓

    Analogs

    2579919
    2579919
    2579928
    2579928
    2580272
    2580272
    2580273
    2580273
    2580274
    2580274

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(3,4-dichlorophenyl)-4-oxobutanoic acid 4-(3,4-dichlorophenyl)-4-oxobuta…

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    And 12 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 900 0.56 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) 2.53 0.9 -44.4 0 3 -1 57 246.069 4 ↓

    Analogs

    22203
    22203
    2539856
    2539856
    26743054
    26743054

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Methyl-4-oxo-4-(3',4'-dichlorophenyl)butyric acid 2-Methyl-4-oxo-4-(3',4'-dichloro…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 6900 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) 3.01 1.26 -44.14 0 3 -1 57 260.096 4 ↓

    Analogs

    22202
    22202
    22203
    22203

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Methyl-4-oxo-4-(3',4'-dichlorophenyl)butyric acid 2-Methyl-4-oxo-4-(3',4'-dichloro…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    KMO-1-E Kynurenine 3-monooxygenase (cluster #1 Of 2), Eukaryotic Eukaryotes 6900 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) 3.01 7.11 -44.09 0 3 -1 57 260.096 4 ↓

    Parameters Provided:

    target.name = KMO-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 'KMO-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=KMO-1-E&target.type=B10&filter.purchasability=purchasable

    Embed Link to Results

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