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Popular Name: (2S)-N-[(1S)-4-guanidino-1-(thiazole-2-carbonyl)butyl]-3-methyl-2-[[(2S)-3-phenyl-2-[N'-(phenylcarba (2S)-N-[(1S)-4-guanidino-1-(thia…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA11-1-E Coagulation Factor XI (cluster #1 Of 1), Eukaryotic Eukaryotes 1920 0.18 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 935 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
THRB_HUMAN P00734 Thrombin, Human 935 0.19 Binding ≤ 1μM
FA11_HUMAN P03951 Coagulation Factor XI, Human 1920 0.18 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 935 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) 1.52 7.81 -47.18 10 13 1 205 622.776 17 ↓

Parameters Provided:

ring.id = 52113
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 = 52113 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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