UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20614154
20614154

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Popular Name: (5R)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-3-(4-fluorophenyl)-N-(4-phe…

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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) 4.68 11.21 -22.1 1 4 0 51 360.388 4 ↓

Analogs

20614152
20614152

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Popular Name: (5S)-3-(4-fluorophenyl)-N-(4-phenylphenyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-3-(4-fluorophenyl)-N-(4-phe…

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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) 4.68 11.2 -20.93 1 4 0 51 360.388 4 ↓

Analogs

20614199
20614199

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Popular Name: (5R)-3-(4-methoxyphenyl)-N-(4-phenylphenyl)-4,5-dihydroisoxazole-5-carboxamide (5R)-3-(4-methoxyphenyl)-N-(4-ph…

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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) 4.58 10.46 -23.38 1 5 0 60 372.424 5 ↓

Analogs

20614197
20614197

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Popular Name: (5S)-3-(4-methoxyphenyl)-N-(4-phenylphenyl)-4,5-dihydroisoxazole-5-carboxamide (5S)-3-(4-methoxyphenyl)-N-(4-ph…

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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) 4.58 10.47 -22.08 1 5 0 60 372.424 5 ↓

Analogs

3952616
3952616

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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 240 0.26 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2100 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 240 0.26 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 240 0.26 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2100 0.23 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) 3.20 10.85 -41.23 5 8 1 129 471.537 8 ↓

Analogs

3952616
3952616

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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 240 0.26 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2100 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 240 0.26 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 240 0.26 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2100 0.23 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) 3.20 10.83 -41.82 5 8 1 129 471.537 8 ↓

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
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 210 0.27 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 1800 0.23 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 390 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 210 0.27 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 390 0.26 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 210 0.27 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 1800 0.23 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 390 0.26 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) 3.18 10.85 -41 5 8 1 129 471.537 8 ↓

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
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 210 0.27 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 1800 0.23 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 390 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 210 0.27 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 390 0.26 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 210 0.27 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 1800 0.23 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 390 0.26 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) 3.18 10.84 -41.32 5 8 1 129 471.537 8 ↓

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
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 200 0.26 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2700 0.22 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 390 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 200 0.26 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 390 0.25 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 200 0.26 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2700 0.22 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 390 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) 2.81 9.48 -42.1 5 9 1 138 487.536 9 ↓

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
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 200 0.26 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2700 0.22 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 390 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 200 0.26 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 390 0.25 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 200 0.26 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2700 0.22 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 390 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) 2.81 9.46 -43.43 5 9 1 138 487.536 9 ↓

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
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 62 0.28 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2800 0.22 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 310 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 62 0.28 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 310 0.25 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 62 0.28 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2800 0.22 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 310 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) 2.79 9.83 -41.92 5 9 1 138 487.536 9 ↓

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
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 62 0.28 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2800 0.22 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 310 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 62 0.28 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 310 0.25 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 62 0.28 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2800 0.22 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 310 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) 2.79 9.8 -43.04 5 9 1 138 487.536 9 ↓

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
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 66 0.28 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 1200 0.23 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 260 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 66 0.28 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 260 0.26 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 66 0.28 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 1200 0.23 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 260 0.26 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 11.22 -41.29 5 8 1 129 503.604 9 ↓

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
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 66 0.28 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 1200 0.23 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 260 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 66 0.28 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 260 0.26 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 66 0.28 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 1200 0.23 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 260 0.26 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 11.2 -42.47 5 8 1 129 503.604 9 ↓

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
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 53 0.27 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2100 0.21 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 300 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 53 0.27 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 300 0.24 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 53 0.27 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2100 0.21 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 300 0.24 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) 2.56 10.79 -43.75 5 10 1 155 515.546 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
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 53 0.27 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2100 0.21 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 300 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 53 0.27 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 300 0.24 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 53 0.27 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2100 0.21 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 300 0.24 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) 2.56 10.82 -44.79 5 10 1 155 515.546 10 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S)-3-(3-carbamimidoylphenyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-isoxazol-5-yl]acetic 2-[(5S)-3-(3-carbamimidoylphenyl…

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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 20 0.29 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 630 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 20 0.29 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 630 0.23 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 20 0.29 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 630 0.23 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) 1.12 5.07 -73.83 7 11 0 203 521.555 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R)-3-(3-carbamimidoylphenyl)-5-[[4-(2-sulfamoylphenyl)phenyl]carbamoyl]-4H-isoxazol-5-yl]acetic 2-[(5R)-3-(3-carbamimidoylphenyl…

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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 20 0.29 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 630 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 20 0.29 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 630 0.23 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 20 0.29 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 630 0.23 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) 1.12 5.19 -72.69 7 11 0 203 521.555 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(3-carbamimidoylphenyl)-5-(2-methoxyethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-car (5R)-3-(3-carbamimidoylphenyl)-5…

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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 5 0.31 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 4400 0.20 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 98 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 5 0.31 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 98 0.27 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 5 0.31 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 4400 0.20 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 98 0.27 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) 1.85 4.05 -47.89 7 10 1 172 522.607 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(3-carbamimidoylphenyl)-5-(2-methoxyethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-car (5S)-3-(3-carbamimidoylphenyl)-5…

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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 5 0.31 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 4400 0.20 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 98 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 5 0.31 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 98 0.27 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 5 0.31 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 4400 0.20 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 98 0.27 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) 1.85 4.03 -48.89 7 10 1 172 522.607 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(3-carbamimidoylphenyl)-5-(methoxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carb (5R)-3-(3-carbamimidoylphenyl)-5…

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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 3 0.33 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2400 0.22 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 70 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 3.4 0.33 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 70 0.28 Binding ≤ 1μM
TRY1_BOVIN P00760 Trypsin I, Bovin 70 0.28 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 3.4 0.33 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2400 0.22 Binding ≤ 10μM
TRY1_BOVIN P00760 Trypsin I, Bovin 70 0.28 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 70 0.28 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) 1.58 3.27 -47.71 7 10 1 172 508.58 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(3-carbamimidoylphenyl)-5-(methoxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carb (5S)-3-(3-carbamimidoylphenyl)-5…

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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 3 0.33 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2400 0.22 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 70 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 3.4 0.33 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 70 0.28 Binding ≤ 1μM
TRY1_BOVIN P00760 Trypsin I, Bovin 70 0.28 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 3.4 0.33 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2400 0.22 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 70 0.28 Binding ≤ 10μM
TRY1_BOVIN P00760 Trypsin I, Bovin 70 0.28 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) 1.58 3.14 -48.82 7 10 1 172 508.58 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(3-carbamimidoylphenyl)-5-(ethoxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carbo (5R)-3-(3-carbamimidoylphenyl)-5…

Find On: PubMed — Wikipedia — Google

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 4 0.32 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 3100 0.21 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 86 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 3.3 0.32 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 70 0.27 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 3.3 0.32 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2100 0.21 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 70 0.27 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) 1.96 4.23 -47.5 7 10 1 172 522.607 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(3-carbamimidoylphenyl)-5-(ethoxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carbo (5S)-3-(3-carbamimidoylphenyl)-5…

Find On: PubMed — Wikipedia — Google

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 4 0.32 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 3100 0.21 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 86 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 3.3 0.32 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 70 0.27 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 3.3 0.32 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2100 0.21 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 70 0.27 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) 1.96 4.12 -48.63 7 10 1 172 522.607 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(3-carbamimidoylphenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide (5S)-3-(3-carbamimidoylphenyl)-5…

Find On: PubMed — Wikipedia — Google

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 7 0.34 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 5800 0.22 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 120 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 11 0.33 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 120 0.28 Binding ≤ 1μM
TRY1_BOVIN P00760 Trypsin I, Bovin 120 0.28 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 11 0.33 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 5800 0.22 Binding ≤ 10μM
TRY1_BOVIN P00760 Trypsin I, Bovin 120 0.28 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 120 0.28 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) 1.98 3.93 -48.68 7 9 1 162 478.554 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(3-carbamimidoylphenyl)-5-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide (5R)-3-(3-carbamimidoylphenyl)-5…

Find On: PubMed — Wikipedia — Google

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 7 0.34 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 5800 0.22 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 120 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 11 0.33 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 120 0.28 Binding ≤ 1μM
TRY1_BOVIN P00760 Trypsin I, Bovin 120 0.28 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 11 0.33 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 5800 0.22 Binding ≤ 10μM
TRY1_BOVIN P00760 Trypsin I, Bovin 120 0.28 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 120 0.28 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) 1.98 3.95 -48.01 7 9 1 162 478.554 6 ↓

Parameters Provided:

ring.id = 73634
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 = 73634 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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