UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-amino-N-[3-[[(1R)-1-[(3-carbamimidoylphenyl)methyl]-2-[4-(2-guanidinoethyl)-1-piperidyl]-2-oxo-eth 3-amino-N-[3-[[(1R)-1-[(3-carbam…

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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 9500 0.17 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 5000 0.18 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.30 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 6000 0.18 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 1700 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 1.8 0.30 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 9500 0.17 Binding ≤ 10μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 1.8 0.30 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 5000 0.18 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 6000 0.18 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 1700 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) -1.17 1.97 -169.14 14 13 3 238 588.759 14 ↓

Analogs

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Popular Name: 4-[1-[(2R)-2-[[3-(3-aminopropanoylamino)phenyl]sulfonylamino]-3-(3-carbamimidoylphenyl)propanoyl]-4- 4-[1-[(2R)-2-[[3-(3-aminopropano…

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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 3300 0.19 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 255 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 255 0.23 Binding ≤ 1μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 255 0.23 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 3300 0.19 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) -0.01 4.92 -157.99 9 12 1 215 587.723 14 ↓
Lo Low (pH 4.5-6) -0.01 2.94 -130.68 10 12 2 212 588.731 14 ↓

Analogs

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Popular Name: methyl methyl

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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 6100 0.17 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 2800 0.19 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.27 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 600 0.21 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 2500 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 6.1 0.27 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 600 0.21 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 6100 0.17 Binding ≤ 10μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 6.1 0.27 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 2800 0.19 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 600 0.21 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 2500 0.19 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) 0.30 4.94 -136.31 9 12 2 201 602.758 15 ↓

Analogs

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Popular Name: 4-[1-[(2R)-2-[[3-(3-aminopropanoylamino)phenyl]sulfonylamino]-3-(3-carbamimidoylphenyl)propanoyl]-4- 4-[1-[(2R)-2-[[3-(3-aminopropano…

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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 10000 0.17 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 1600 0.19 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.27 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 850 0.20 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 3300 0.18 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 6.3 0.27 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 850 0.20 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 10000 0.17 Binding ≤ 10μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 6.3 0.27 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 1600 0.19 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 850 0.20 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 3300 0.18 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) -0.15 2.47 -138.94 10 12 2 204 601.774 14 ↓

Analogs

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Popular Name: 4-[1-[(2R)-2-[[3-(3-aminopropanoylamino)phenyl]sulfonylamino]-3-(3-carbamimidoylphenyl)propanoyl]-4- 4-[1-[(2R)-2-[[3-(3-aminopropano…

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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 8200 0.17 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 2900 0.19 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.27 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 670 0.21 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 2100 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 12 0.27 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 670 0.21 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 8200 0.17 Binding ≤ 10μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 12 0.27 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 2900 0.19 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 670 0.21 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 2100 0.19 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) -0.53 1.06 -132.77 11 12 2 218 587.747 14 ↓

Analogs

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Popular Name: 1-[(2R)-2-[[3-(3-aminopropanoylamino)phenyl]sulfonylamino]-3-(3-carbamimidoylphenyl)propanoyl]piperi 1-[(2R)-2-[[3-(3-aminopropanoyla…

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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 2500 0.21 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 1200 0.22 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.29 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 1250 0.22 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 3300 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 13 0.29 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 2500 0.21 Binding ≤ 10μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 13 0.29 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 1200 0.22 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 1250 0.22 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 3300 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) -1.76 -1.14 -130.35 11 12 2 218 545.666 11 ↓

Analogs

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Popular Name: (3S)-1-[(2R)-2-[[3-(3-aminopropanoylamino)phenyl]sulfonylamino]-3-(3-carbamimidoylphenyl)propanoyl]p (3S)-1-[(2R)-2-[[3-(3-aminopropa…

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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 1300 0.22 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 31 0.28 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2100 0.21 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 7400 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 31 0.28 Binding ≤ 1μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 31 0.28 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 1300 0.22 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2100 0.21 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 7400 0.19 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 -1.02 -137.68 11 12 2 218 545.666 11 ↓

Analogs

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Popular Name: (3R)-1-[(2R)-2-[[3-(3-aminopropanoylamino)phenyl]sulfonylamino]-3-(3-carbamimidoylphenyl)propanoyl]p (3R)-1-[(2R)-2-[[3-(3-aminopropa…

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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 1300 0.22 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 31 0.28 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2100 0.21 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 7400 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 31 0.28 Binding ≤ 1μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 31 0.28 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 1300 0.22 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2100 0.21 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 7400 0.19 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 -1.02 -141.17 11 12 2 218 545.666 11 ↓

Analogs

40955895
40955895

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Popular Name: 3-amino-N-[3-[[(1R)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]sulfamoyl]phenyl]pr 3-amino-N-[3-[[(1R)-1-[(3-carbam…

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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 10000 0.20 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 3300 0.22 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 33 0.30 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 270 0.26 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 2600 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 33 0.30 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 270 0.26 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 10000 0.20 Binding ≤ 10μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 33 0.30 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 3300 0.22 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 270 0.26 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 2600 0.22 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) -0.35 2.35 -131.3 9 10 2 175 502.641 10 ↓

Analogs

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Popular Name: 3-amino-N-[3-[[(1R)-1-[(3-carbamimidoylphenyl)methyl]-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfamoyl 3-amino-N-[3-[[(1R)-1-[(3-carbam…

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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 4400 0.21 Binding ≤ 10μM
PLMN-2-E Plasminogen (cluster #2 Of 2), Eukaryotic Eukaryotes 6200 0.20 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 53 0.28 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 110 0.27 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 3000 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 53 0.28 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 110 0.27 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 4400 0.21 Binding ≤ 10μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 53 0.28 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 6200 0.20 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 110 0.27 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 3000 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) -0.11 2.72 -130.49 9 10 2 175 516.668 10 ↓

Analogs

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Popular Name: (2R)-1-[(2R)-2-[[3-(3-aminopropanoylamino)phenyl]sulfonylamino]-3-(3-carbamimidoylphenyl)propanoyl]p (2R)-1-[(2R)-2-[[3-(3-aminopropa…

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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 9400 0.19 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 180 0.25 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2300 0.21 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 7300 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 180 0.25 Binding ≤ 1μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 180 0.25 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 9400 0.19 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2300 0.21 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 7300 0.19 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) -2.58 3.76 -172.35 9 12 1 215 545.642 11 ↓

Analogs

40952844
40952844
40952845
40952845

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Popular Name: 3-amino-N-[3-[[(1R)-1-[(3-carbamimidoylphenyl)methyl]-2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulf 3-amino-N-[3-[[(1R)-1-[(3-carbam…

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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 4500 0.21 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 470 0.25 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 395 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 470 0.25 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 395 0.25 Binding ≤ 1μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 470 0.25 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 4500 0.21 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 395 0.25 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) -0.02 2.74 -129.61 9 10 2 175 516.668 10 ↓

Analogs

40952844
40952844
40952845
40952845

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Popular Name: 3-amino-N-[3-[[(1R)-1-[(3-carbamimidoylphenyl)methyl]-2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulf 3-amino-N-[3-[[(1R)-1-[(3-carbam…

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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 4500 0.21 Binding ≤ 10μM
ST14-1-E Matriptase (cluster #1 Of 1), Eukaryotic Eukaryotes 470 0.25 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 395 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 470 0.25 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 395 0.25 Binding ≤ 1μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 470 0.25 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 4500 0.21 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 395 0.25 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) -0.02 2.74 -128.96 9 10 2 175 516.668 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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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 2400 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 2400 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) -0.50 3.71 -137.39 9 12 2 201 560.677 12 ↓

Analogs

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Popular Name: N-[(1R)-1-benzyl-2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]-2-fluoro-benzenesulfonamide N-[(1R)-1-benzyl-2-[(3R)-3-methy…

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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) 3.41 7.92 -17.5 1 5 0 66 404.507 6 ↓

Analogs

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Popular Name: N-[(1R)-1-benzyl-2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-2-fluoro-benzenesulfonamide N-[(1R)-1-benzyl-2-[(3S)-3-methy…

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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) 3.41 7.51 -14.85 1 5 0 66 404.507 6 ↓

Analogs

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Popular Name: N-[(1S)-1-benzyl-2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]-2-fluoro-benzenesulfonamide N-[(1S)-1-benzyl-2-[(3R)-3-methy…

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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) 3.41 7.89 -14.03 1 5 0 66 404.507 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-benzyl-2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-2-fluoro-benzenesulfonamide N-[(1S)-1-benzyl-2-[(3S)-3-methy…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.41 7.9 -13.68 1 5 0 66 404.507 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-2-fluoro-benzenesulfonamide N-[(1R)-1-benzyl-2-[(3S,5R)-3,5-…

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Activity (Go SEA)

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) 3.89 8.1 -14.59 1 5 0 66 418.534 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-2-fluoro-benzenesulfonamide N-[(1R)-1-benzyl-2-[(3S,5S)-3,5-…

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Activity (Go SEA)

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) 3.89 8.33 -14.89 1 5 0 66 418.534 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-benzyl-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]-2-fluoro-benzenesulfonamide N-[(1R)-1-benzyl-2-[(3R,5R)-3,5-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.89 8.34 -14.5 1 5 0 66 418.534 6 ↓

Parameters Provided:

ring.id = 166344
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 166344 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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