UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: piperidine-1-carboxylic-acid-(4-morpholino-1,2,5-thiadiazol-3-yl)-ester piperidine-1-carboxylic-acid-(4-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LICH-1-E Lysosomal Acid Lipase/cholesteryl Ester Hydrolase (cluster #1 Of 2), Eukaryotic Eukaryotes 424 0.45 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) 1.59 2.98 -8.86 0 7 0 68 298.368 3 ↓

Analogs

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Popular Name: morpholine-4-carboxylic-acid-(4-morpholino-1,2,5-thiadiazol-3-yl)-ester morpholine-4-carboxylic-acid-(4-…

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Vendors

And 3 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LICH-1-E Lysosomal Acid Lipase/cholesteryl Ester Hydrolase (cluster #1 Of 2), Eukaryotic Eukaryotes 492 0.44 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) 0.52 0.52 -9.2 0 8 0 77 300.34 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine-4-carboxylic-acid-(4-piperidino-1,2,5-thiadiazol-3-yl)-ester morpholine-4-carboxylic-acid-(4-…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LICH-1-E Lysosomal Acid Lipase/cholesteryl Ester Hydrolase (cluster #1 Of 2), Eukaryotic Eukaryotes 68 0.50 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) 1.59 2.92 -8.9 0 7 0 68 298.368 3 ↓

Parameters Provided:

annotation.name = LICH_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'LICH\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=LICH_HUMAN&filter.purchasability=purchasable

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