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Popular Name: 3-[(2S)-3-[4-(3-guanidinopropanoyl)piperazin-1-yl]-2-(2-naphthylmethylsulfonylamino)-3-oxo-propyl]be 3-[(2S)-3-[4-(3-guanidinopropano…

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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 400 0.21 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 2600 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ST14_HUMAN Q9Y5Y6 Matriptase, Human 400 0.21 Binding ≤ 1μM
ST14_HUMAN Q9Y5Y6 Matriptase, Human 400 0.21 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 2600 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) 0.10 6.24 -84.99 10 12 2 202 594.742 12 ↓

Parameters Provided:

ring.id = 52102
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 = 52102 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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