UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(4-chlorophenyl)-N'-[2-methyl-5-(piperidinosulfonyl)-3-furyl]urea N-(4-chlorophenyl)-N'-[2-methyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LIPE-1-E Endothelial Lipase (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.36 Binding ≤ 10μM
LIPL-1-E Lipoprotein Lipase (cluster #1 Of 1), Eukaryotic Eukaryotes 130 0.37 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) 3.50 5.12 -16.91 2 7 0 92 397.884 4 ↓

Analogs

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Popular Name: GSK264220A GSK264220A

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And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LIPE-1-E Endothelial Lipase (cluster #1 Of 1), Eukaryotic Eukaryotes 130 0.39 Binding ≤ 10μM
LIPL-1-E Lipoprotein Lipase (cluster #1 Of 1), Eukaryotic Eukaryotes 100 0.39 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) 2.82 4.61 -17.16 2 7 0 92 363.439 4 ↓

Parameters Provided:

target.name = LIPE-1-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'LIPE-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=LIPE-1-E&target.type=B10&filter.purchasability=purchasable

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