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Analogs

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Popular Name: 6-(2,2,2-Trifluoroethoxy)-N-[2-[[[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl]amino]ethyl]nicotinamide 6-(2,2,2-Trifluoroethoxy)-N-[2-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 44 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) 2.82 5.33 -20.86 2 8 0 98 501.387 10 ↓

Analogs

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Popular Name: A 922500 A 922500

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DGAT1-1-E Diacylglycerol O-acyltransferase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 24 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) 5.35 11.89 -64.5 2 6 -1 98 427.48 6 ↓
Hi High (pH 8-9.5) 9.70 20.96 -7.89 1 3 0 47 576.906 15 ↓

Parameters Provided:

annotation.name = DGAT1_MOUSE
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 'DGAT1\\_MOUSE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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