UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-[2-(2-quinolyl)vinyl]phenol 2-[2-(2-quinolyl)vinyl]phenol

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Vendors

And 8 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECE2-1-E Endothelin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 6420 0.38 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) 4.15 -0.64 -10.37 1 2 0 33 247.297 2 ↓

Analogs

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Popular Name: 2-[(Z)-2-(2-quinolyl)vinyl]phenol 2-[(Z)-2-(2-quinolyl)vinyl]phenol

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECE2-1-E Endothelin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4630 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) 4.15 7.04 -9.49 1 2 0 33 247.297 2 ↓

Parameters Provided:

annotation.name = ECE2_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
rolex-org.lang = de
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 'ECE2\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=ECE2_HUMAN&filter.purchasability=purchasable

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