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

    Analogs

    2599214
    2599214

    Draw Identity 99% 90% 80% 70%

    Popular Name: Naphthalene-2-carboxamidine HOAc Naphthalene-2-carboxamidine HOAc

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 7800 0.55 Binding ≤ 10μM
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 6310 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) 1.51 4.65 -33.86 4 2 1 52 171.223 1 ↓

    Analogs

    4426033
    4426033

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 1700 0.19 Binding ≤ 10μM
    KLKB1-1-E Plasma Kallikrein (cluster #1 Of 3), Eukaryotic Eukaryotes 7200 0.17 Binding ≤ 10μM
    PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 390 0.21 Binding ≤ 10μM
    ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 320 0.21 Binding ≤ 10μM
    THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 490 0.21 Binding ≤ 10μM
    TRY1-4-E Trypsin I (cluster #4 Of 5), Eukaryotic Eukaryotes 37 0.24 Binding ≤ 10μM
    TRYG1-1-E Tryptase Gamma (cluster #1 Of 1), Eukaryotic Eukaryotes 6300 0.17 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 410 0.21 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) 4.30 10.74 -41.24 5 10 1 148 614.833 12 ↓

    Analogs

    4426028
    4426028

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl ethyl

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 1200 0.19 Binding ≤ 10μM
    TRY2-1-E Trypsin II (cluster #1 Of 3), Eukaryotic Eukaryotes 120 0.23 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 960 0.20 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) 4.30 10.52 -48.64 5 10 1 148 614.833 12 ↓

    Analogs

    5832255
    5832255

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-Aminobenzamidine dihydrochloride 4-Aminobenzamidine dihydrochloride

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 7000 0.72 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) -0.60 0.24 -29.4 6 3 1 78 136.178 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-Amino-1H-benzo[d]imidazol-5-ol 2-Amino-1H-benzo[d]imidazol-5-ol

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 10000 0.64 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) 0.73 0.83 -10.03 4 4 0 75 149.153 0 ↓
    Ref Reference (pH 7) 0.73 1.3 -30.58 5 4 1 76 150.161 0 ↓
    Mid Mid (pH 6-8) 0.73 2.05 -42.61 4 4 0 79 149.153 0 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4S)-4-amino-5-[[2-[[(1S)-1-(2-chloroacetyl)-4-guanidino-butyl]amino]-2-oxo-ethyl]amino]-5-oxo-penta (4S)-4-amino-5-[[2-[[(1S)-1-(2-c…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    UPAR-1-E Urokinase Plasminogen Activator Surface Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.46 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 3 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) -3.16 0.37 -100.21 10 11 1 207 393.852 14 ↓
    Hi High (pH 8-9.5) -3.16 0.06 -78.85 9 11 0 205 392.844 14 ↓
    Hi High (pH 8-9.5) -3.29 0.08 -78.07 9 11 0 207 392.844 13 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-[[(2S)-3-methyl-2-phthalimido-butanoyl]amino]-1H-1,2,4-triazole-5-carboxylic-acid-methyl-ester 3-[[(2S)-3-methyl-2-phthalimido-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-1-E Neutrophil Elastase (cluster #1 Of 3), Eukaryotic Eukaryotes 1600 0.30 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 2500 0.29 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) 1.15 0.4 -17.91 2 10 0 136 371.353 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (1Z,2R)-N-(5-carbomethoxy-1H-1,2,4-triazol-3-yl)-3-methyl-2-phthalimido-butyrimidate (1Z,2R)-N-(5-carbomethoxy-1H-1,2…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-1-E Neutrophil Elastase (cluster #1 Of 3), Eukaryotic Eukaryotes 1600 0.30 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 2500 0.29 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) 1.34 7.53 -57.55 1 10 -1 142 370.345 6 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-tert-butylphenyl)-(4-chloropyrazol-1-yl)methanone (4-tert-butylphenyl)-(4-chloropy…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-3-E Neutrophil Elastase (cluster #3 Of 3), Eukaryotic Eukaryotes 9000 0.39 Binding ≤ 10μM
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 4700 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) 4.17 2.95 -5.52 0 3 0 34 262.74 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-chloro-1-(4-fluorobenzoyl)-1H-pyrazole 4-chloro-1-(4-fluorobenzoyl)-1H-…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-3-E Neutrophil Elastase (cluster #3 Of 3), Eukaryotic Eukaryotes 6 0.77 Binding ≤ 10μM
    KLKB1-1-E Plasma Kallikrein (cluster #1 Of 3), Eukaryotic Eukaryotes 6600 0.48 Binding ≤ 10μM
    THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 6900 0.48 Binding ≤ 10μM
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 2500 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) 2.63 2.54 -5.1 0 3 0 35 224.622 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007633 DNC007633

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-1-E Neutrophil Elastase (cluster #1 Of 3), Eukaryotic Eukaryotes 65 0.59 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 1300 0.48 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) 2.15 2.72 -6.87 0 6 0 80 231.211 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (4-chloropyrazol-1-yl)-(3-nitrophenyl)methanone (4-chloropyrazol-1-yl)-(3-nitrop…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-1-E Neutrophil Elastase (cluster #1 Of 3), Eukaryotic Eukaryotes 24 0.63 Binding ≤ 10μM
    THRB-8-E Prothrombin (cluster #8 Of 8), Eukaryotic Eukaryotes 680 0.51 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 170 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) 2.40 2.32 -9.96 0 6 0 80 251.629 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007640 DNC007640

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-3-E Neutrophil Elastase (cluster #3 Of 3), Eukaryotic Eukaryotes 45 0.69 Binding ≤ 10μM
    KLKB1-1-E Plasma Kallikrein (cluster #1 Of 3), Eukaryotic Eukaryotes 6200 0.49 Binding ≤ 10μM
    THRB-5-E Prothrombin (cluster #5 Of 8), Eukaryotic Eukaryotes 4700 0.50 Binding ≤ 10μM
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 1700 0.54 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) 3.04 1.5 -6 0 3 0 34 265.11 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007639 DNC007639

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-3-E Neutrophil Elastase (cluster #3 Of 3), Eukaryotic Eukaryotes 104 0.65 Binding ≤ 10μM
    KLKB1-1-E Plasma Kallikrein (cluster #1 Of 3), Eukaryotic Eukaryotes 5700 0.49 Binding ≤ 10μM
    THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2800 0.52 Binding ≤ 10μM
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 2600 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) 3.14 1.67 -6.47 0 3 0 34 241.077 1 ↓

    Analogs

    6529340
    6529340

    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
    ELNE-1-E Neutrophil Elastase (cluster #1 Of 3), Eukaryotic Eukaryotes 2500 0.37 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 2500 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) 2.07 -1.96 -11.37 2 5 0 67 284.315 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007635 DNC007635

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-3-E Neutrophil Elastase (cluster #3 Of 3), Eukaryotic Eukaryotes 28 0.62 Binding ≤ 10μM
    KLKB1-1-E Plasma Kallikrein (cluster #1 Of 3), Eukaryotic Eukaryotes 6100 0.43 Binding ≤ 10μM
    THRB-8-E Prothrombin (cluster #8 Of 8), Eukaryotic Eukaryotes 4300 0.44 Binding ≤ 10μM
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 3100 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) 2.39 2.9 -6.86 0 6 0 80 231.211 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(5-Chloro-pyridin-2-yl)-guanidine N-(5-Chloro-pyridin-2-yl)-guanidine

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    UROK-4-E Urokinase-type Plasminogen Activator (cluster #4 Of 4), Eukaryotic Eukaryotes 10000 0.64 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) 0.69 2.2 -7.47 4 4 0 77 170.603 1 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4,4'-(Propane-1,3-diylbis(oxy))bis(3-bromobenzimidamide) bis(2-hydroxyethanesulfonate) 4,4'-(Propane-1,3-diylbis(oxy))b…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 535 0.35 Binding ≤ 10μM
    THRB-5-E Prothrombin (cluster #5 Of 8), Eukaryotic Eukaryotes 946 0.34 Binding ≤ 10μM
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 1570 0.33 Binding ≤ 10μM
    Z50426-1-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other Other 16 0.44 Functional ≤ 10μM
    Z50459-1-O Leishmania Donovani (cluster #1 Of 8), Other Other 1170 0.33 Functional ≤ 10μM
    Z50725-1-O Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other Other 19 0.43 Functional ≤ 10μM
    Z81135-1-O L6 (Skeletal Muscle Myoblast Cells) (cluster #1 Of 6), Other Other 6400 0.29 ADME/T ≤ 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) 2.19 -6.15 -84.43 8 6 2 121 472.181 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-(4-chlorobenzoyl)pyrazole-3-carboxylic-acid-methyl-ester 2-(4-chlorobenzoyl)pyrazole-3-ca…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-1-E Neutrophil Elastase (cluster #1 Of 3), Eukaryotic Eukaryotes 15 0.61 Binding ≤ 10μM
    THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 51 0.57 Binding ≤ 10μM
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 120 0.54 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) 2.61 2.58 -9.44 0 5 0 61 264.668 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2,4-dimethylphenyl)-[1-(4-fluorobenzoyl)pyrazol-3-yl]methanone (2,4-dimethylphenyl)-[1-(4-fluor…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-1-E Neutrophil Elastase (cluster #1 Of 3), Eukaryotic Eukaryotes 24 0.44 Binding ≤ 10μM
    THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 120 0.40 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 1100 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) 4.54 10.27 -6.67 0 4 0 52 322.339 3 ↓

    Analogs

    6145401
    6145401
    32373
    32373

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC007641 DNC007641

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-3-E Neutrophil Elastase (cluster #3 Of 3), Eukaryotic Eukaryotes 39 0.47 Binding ≤ 10μM
    THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 390 0.41 Binding ≤ 10μM
    UROK-1-E Urokinase-type Plasminogen Activator (cluster #1 Of 4), Eukaryotic Eukaryotes 1500 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) 2.99 0.73 -9.34 1 5 0 63 291.31 3 ↓

    Analogs

    6200445
    6200445

    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
    ELNE-1-E Neutrophil Elastase (cluster #1 Of 3), Eukaryotic Eukaryotes 3100 0.39 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 2500 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) 2.80 3.01 -11.74 0 5 0 60 287.706 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: (2-fluorophenyl)-(5-methyl-3-nitro-pyrazol-1-yl)methanone (2-fluorophenyl)-(5-methyl-3-nit…

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    ELNE-1-E Neutrophil Elastase (cluster #1 Of 3), Eukaryotic Eukaryotes 107 0.54 Binding ≤ 10μM
    KLKB1-1-E Plasma Kallikrein (cluster #1 Of 3), Eukaryotic Eukaryotes 4400 0.42 Binding ≤ 10μM
    THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2800 0.43 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 1500 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) 2.28 3.32 -8.08 0 6 0 80 249.201 2 ↓

    Analogs

    40164006
    40164006

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(4-Chlorophenyl)guanidine 1-(4-Chlorophenyl)guanidine

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    Vendors

    And 23 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    5HT3A-5-E Serotonin 3a (5-HT3a) Receptor (cluster #5 Of 5), Eukaryotic Eukaryotes 326 0.83 Binding ≤ 10μM
    5HT3B-2-E Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 326 0.83 Binding ≤ 10μM
    5HT3C-2-E Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 326 0.83 Binding ≤ 10μM
    5HT3D-2-E Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 326 0.83 Binding ≤ 10μM
    5HT3E-2-E Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 326 0.83 Binding ≤ 10μM
    UROK-4-E Urokinase-type Plasminogen Activator (cluster #4 Of 4), Eukaryotic Eukaryotes 6700 0.66 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) 1.55 4.07 -33.23 5 3 1 64 170.623 2 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-(4-trifluoromethyl-phenyl)-guanidine N-(4-trifluoromethyl-phenyl)-gua…

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    And 8 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    5HT3A-5-E Serotonin 3a (5-HT3a) Receptor (cluster #5 Of 5), Eukaryotic Eukaryotes 230 0.66 Binding ≤ 10μM
    5HT3B-2-E Serotonin 3b (5-HT3b) Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 230 0.66 Binding ≤ 10μM
    5HT3C-2-E Serotonin 3c (5-HT3c) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 230 0.66 Binding ≤ 10μM
    5HT3D-2-E Serotonin 3d (5-HT3d) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 230 0.66 Binding ≤ 10μM
    5HT3E-2-E Serotonin 3e (5-HT3e) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 230 0.66 Binding ≤ 10μM
    UROK-4-E Urokinase-type Plasminogen Activator (cluster #4 Of 4), Eukaryotic Eukaryotes 6490 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) 1.77 4.59 -36.42 5 3 1 64 204.175 3 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1-phenyl-2-(3-phenylureido)ethoxy)benzo[b]thiophene-2-carboximidamide 4-(1-phenyl-2-(3-phenylureido)et…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 960 0.27 Binding ≤ 10μM
    FA9-1-E Coagulation Factor IX (cluster #1 Of 1), Eukaryotic Eukaryotes 29 0.34 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 250 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) 4.25 8.39 -38.54 6 6 1 102 431.541 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 4-(1-phenyl-2-(3-phenylureido)ethoxy)benzo[b]thiophene-2-carboximidamide 4-(1-phenyl-2-(3-phenylureido)et…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 960 0.27 Binding ≤ 10μM
    FA9-1-E Coagulation Factor IX (cluster #1 Of 1), Eukaryotic Eukaryotes 29 0.34 Binding ≤ 10μM
    UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 250 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) 4.25 8.46 -39.61 6 6 1 102 431.541 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: DNC003658 DNC003658

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    FA9-1-E Coagulation Factor IX (cluster #1 Of 1), Eukaryotic Eukaryotes 950 0.65 Binding ≤ 10μM
    UROK-3-E Urokinase-type Plasminogen Activator (cluster #3 Of 4), Eukaryotic Eukaryotes 79 0.76 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) 2.57 4.78 -31.11 4 2 1 52 303.148 1 ↓

    Analogs

    1530558
    1530558

    Draw Identity 99% 90% 80% 70%

    Popular Name: Amiloride hydrochloride Amiloride hydrochloride

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    And 48 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    AA2AR-1-E Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 3280 0.51 Binding ≤ 10μM
    ACCN3-1-E Amiloride-sensitive Cation Channel 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 4400 0.50 Binding ≤ 10μM
    AOC3-2-E Amine Oxidase, Copper Containing (cluster #2 Of 2), Eukaryotic Eukaryotes 10000 0.47 Binding ≤ 10μM
    SCNNA-1-E Amiloride-sensitive Sodium Channel Alpha-subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 776 0.57 Binding ≤ 10μM
    UROK-4-E Urokinase-type Plasminogen Activator (cluster #4 Of 4), Eukaryotic Eukaryotes 7000 0.48 Binding ≤ 10μM
    Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 7943 0.48 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) -1.37 -3.38 -10.68 8 8 0 159 229.631 1 ↓
    Hi High (pH 8-9.5) -1.37 -3.35 -39.89 7 8 -1 157 228.623 1 ↓

    Parameters Provided:

    annotation.name = UROK_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'UROK\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?annotation.name=UROK_HUMAN&filter.purchasability=purchasable

    Embed Link to Results

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