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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: (5R)-3-(3-carbamimidoylphenyl)-5-(methoxymethyl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]-4H-isoxazol (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 10 0.31 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 9.9 0.31 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 390 0.25 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 9.9 0.31 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) 0.55 3.23 -49.02 7 12 1 197 510.556 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(3-carbamimidoylphenyl)-5-(methoxymethyl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]-4H-isoxazol (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 10 0.31 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 9.9 0.31 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 390 0.25 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 9.9 0.31 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) 0.55 3.09 -49.47 7 12 1 197 510.556 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-(3-carbamimidoylphenyl)-5-(ethoxymethyl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]-4H-isoxazole (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 0.31 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 330 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 6.8 0.31 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 330 0.25 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 6.8 0.31 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 330 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) 0.92 4.19 -48.94 7 12 1 197 524.583 9 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-(3-carbamimidoylphenyl)-5-(ethoxymethyl)-N-[5-(2-sulfamoylphenyl)pyrimidin-2-yl]-4H-isoxazole (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 0.31 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 330 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 6.8 0.31 Binding ≤ 1μM
TRY1_HUMAN P07477 Trypsin I, Human 330 0.25 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 6.8 0.31 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, Human 330 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) 0.92 4.08 -49.37 7 12 1 197 524.583 9 ↓

Parameters Provided:

ring.id = 228671
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 = 228671 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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