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Popular Name: 1-[1-[2-(4-benzylpiperazin-1-yl)acetyl]-4-piperidyl]-3-[4-(trifluoromethoxy)phenyl]urea 1-[1-[2-(4-benzylpiperazin-1-yl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HYES-2-E Epoxide Hydrolase 2 (cluster #2 Of 3), Eukaryotic Eukaryotes 18 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HYES_MOUSE P34914 Epoxide Hydratase, Mouse 18 0.29 Binding ≤ 1μM
HYES_HUMAN P34913 Epoxide Hydratase, Human 1.5 0.33 Binding ≤ 1μM
HYES_MOUSE P34914 Epoxide Hydratase, Mouse 18 0.29 Binding ≤ 10μM
HYES_HUMAN P34913 Epoxide Hydratase, Human 1.5 0.33 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) 3.48 8.72 -48.82 3 8 1 78 520.576 8 ↓
Mid Mid (pH 6-8) 3.48 6.45 -16.7 2 8 0 77 519.568 8 ↓

Parameters Provided:

ring.id = 366713
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 = 366713 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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