UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[2-(1H-indol-3-yl)-1-(4-pyridylcarbamoyl)ethyl]-4-methyl-cyclohexane-1-carboxamide N-[2-(1H-indol-3-yl)-1-(4-pyridy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP51-1-E Sterol 14-alpha Demethylase (cluster #1 Of 1), Eukaryotic Eukaryotes 5 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) 2.94 8.92 -16.56 3 6 0 87 404.514 6 ↓
Lo Low (pH 4.5-6) 2.94 9.2 -43.37 4 6 1 88 405.522 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(1H-indol-3-yl)-1-(4-pyridylcarbamoyl)ethyl]-4-methyl-cyclohexane-1-carboxamide N-[2-(1H-indol-3-yl)-1-(4-pyridy…

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP51-1-E Sterol 14-alpha Demethylase (cluster #1 Of 1), Eukaryotic Eukaryotes 5 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) 2.94 8.78 -17.57 3 6 0 87 404.514 6 ↓
Lo Low (pH 4.5-6) 2.94 9.06 -43.68 4 6 1 88 405.522 6 ↓

Parameters Provided:

annotation.name = CP51_TRYCC
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 'CP51\\_TRYCC' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=CP51_TRYCC&filter.purchasability=purchasable

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