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34689164
34689164

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Popular Name: 3-[(2R)-4-[6-[(2S,6S)-2,6-dimethyl-1-piperidyl]hexyl]-3-oxo-1,4-benzoxazin-2-yl]benzamidine 3-[(2R)-4-[6-[(2S,6S)-2,6-dimeth…

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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 68 0.30 Binding ≤ 10μM
THRB-1-E Prothrombin (cluster #1 Of 8), Eukaryotic Eukaryotes 5600 0.22 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), 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 68 0.30 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 68 0.30 Binding ≤ 10μM
THRB_HUMAN P00734 Thrombin, Human 5600 0.22 Binding ≤ 10μM
TRY1_HUMAN P07477 Trypsin I, 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) 4.32 12.44 -74.3 5 6 2 86 464.654 9 ↓

Parameters Provided:

ring.id = 51994
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 = 51994 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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