UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

33822190
33822190

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Popular Name: ETYA ETYA

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z102121-1-O Trichophyton Mentagrophytes (cluster #1 Of 3), Other Other 6700 0.33 Functional ≤ 10μM
Z50416-2-O Aspergillus Fumigatus (cluster #2 Of 3), Other Other 10000 0.32 Functional ≤ 10μM
Z50442-2-O Candida Albicans (cluster #2 Of 4), Other Other 8100 0.32 Functional ≤ 10μM
Z50444-2-O Candida Parapsilosis (cluster #2 Of 2), Other Other 5400 0.34 Functional ≤ 10μM
Z50452-2-O Trichophyton Rubrum (cluster #2 Of 2), Other Other 8400 0.32 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) 6.25 15.72 -49.54 0 2 -1 40 295.402 6 ↓

Parameters Provided:

target.name = Z50444-2-O
target.type = F10
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 'Z50444-2-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z50444-2-O&target.type=F10&filter.purchasability=purchasable

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