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

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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 3400 0.18 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 17 0.26 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 350 0.22 Binding ≤ 10μM
UROK-2-E Urokinase-type Plasminogen Activator (cluster #2 Of 4), Eukaryotic Eukaryotes 2200 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 17 0.26 Binding ≤ 1μM
THRB_HUMAN P00734 Thrombin, Human 350 0.22 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 3400 0.18 Binding ≤ 10μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 17 0.26 Binding ≤ 10μM
PLMN_HUMAN P00747 Plasminogen, Human 2800 0.19 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 350 0.22 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 2200 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) 1.32 6.33 -132.59 9 10 2 175 592.766 12 ↓

Parameters Provided:

ring.id = 168812
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 = 168812 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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