UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-[1-(6-chloropyridine-3-carbonyl)-4-piperidyl]-3-[4-(trifluoromethoxy)phenyl]urea 1-[1-(6-chloropyridine-3-carbony…

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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 1 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HYES_HUMAN P34913 Epoxide Hydratase, Human 0.6 0.43 Binding ≤ 1μM
HYES_MOUSE P34914 Epoxide Hydratase, Mouse 0.7 0.43 Binding ≤ 1μM
HYES_MOUSE P34914 Epoxide Hydratase, Mouse 0.7 0.43 Binding ≤ 10μM
HYES_HUMAN P34913 Epoxide Hydratase, Human 0.6 0.43 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) 3.18 5.51 -15.94 2 7 0 84 442.825 5 ↓

Analogs

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Popular Name: 1-[1-(6-ethoxypyridine-3-carbonyl)-4-piperidyl]-3-phenyl-urea 1-[1-(6-ethoxypyridine-3-carbony…

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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) 1.97 4.73 -15.81 2 7 0 84 368.437 5 ↓

Parameters Provided:

ring.id = 366501
filter.purchasability = annotated
page.format = targets
page.num = 1
VisitorId = 186e34da-b1d7-47e1-ac3d-49d73906d22c

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 = 366501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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