UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4583060
4583060

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Popular Name: 1,6-BIS(CYCLOHEXYLOXIMINOCARBONYLAMINO)HEXANE 1,6-BIS(CYCLOHEXYLOXIMINOCARBONY…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGLA-1-E Sn1-specific Diacylglycerol Lipase Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 60 0.36 Binding ≤ 10μM
DGLB-1-E Sn1-specific Diacylglycerol Lipase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.36 Binding ≤ 10μM
NCEH1-1-E Neutral Cholesterol Ester Hydrolase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.25 Binding ≤ 10μM
Z50597-6-O Rattus Norvegicus (cluster #6 Of 12), Other Other 1000 0.30 Functional ≤ 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) 4.79 8.43 -20.19 2 8 0 101 394.516 11 ↓

Analogs

17653605
17653605
17653608
17653608
8101159
8101159
8101161
8101161
8101162
8101162

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Popular Name: Orlistat Orlistat

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Vendors

And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ABD12-1-E Monoacylglycerol Lipase ABHD12 (cluster #1 Of 1), Eukaryotic Eukaryotes 80 0.28 Binding ≤ 10μM
ABHGA-1-E Protein BAT5 (cluster #1 Of 1), Eukaryotic Eukaryotes 30 0.30 Binding ≤ 10μM
CNR1-3-E Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic Eukaryotes 2500 0.22 Binding ≤ 10μM
DGLA-1-E Sn1-specific Diacylglycerol Lipase Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
DGLB-1-E Sn1-specific Diacylglycerol Lipase Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.29 Binding ≤ 10μM
LIPP-2-E Pancreatic Triacylglycerol Lipase (cluster #2 Of 2), Eukaryotic Eukaryotes 600 0.25 Binding ≤ 10μM
PAFA-2-E LDL-associated Phospholipase A2 (cluster #2 Of 3), Eukaryotic Eukaryotes 50 0.29 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) 9.01 18.81 -13.94 1 6 0 82 495.745 23 ↓

Analogs

8214635
8214635

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Popular Name: [(1S)-1-[[(2R,3R)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] [(1S)-1-[[(2R,3R)-3-hexyl-4-oxo-…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGLA-1-E Sn1-specific Diacylglycerol Lipase Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 5000 0.21 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) 9.01 18.69 -18.86 1 6 0 82 495.745 23 ↓

Parameters Provided:

target.name = DGLA-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 'DGLA-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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

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