UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: DNC009027 DNC009027

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FDFT-1-E Squalene Synthetase (cluster #1 Of 4), Eukaryotic Eukaryotes 169 0.38 Binding ≤ 10μM
FDFT-1-E Squalene Synthetase (cluster #1 Of 4), Eukaryotic Eukaryotes 1900 0.32 Binding ≤ 10μM
CRTM-1-B Dehydrosqualene Synthase (cluster #1 Of 1), Bacterial Bacteria 1400 0.33 Binding ≤ 10μM
CRTM-1-B Dehydrosqualene Synthase (cluster #1 Of 1), Bacterial Bacteria 7900 0.29 Binding ≤ 10μM
Z50185-2-O Staphylococcus Aureus (cluster #2 Of 4), Other Other 50 0.41 Functional ≤ 10μM
Z50185-2-O Staphylococcus Aureus (cluster #2 Of 4), Other Other 110 0.39 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) 0.44 4.21 -123.14 1 7 -2 127 384.346 8 ↓

Parameters Provided:

annotation.name = CRTM_STAAU
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 'CRTM\\_STAAU' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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

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