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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

43943102
43943102

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Popular Name: APHIDICOLIN APHIDICOLIN

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOLA-2-E DNA Polymerase Alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 0.32 Binding ≤ 10μM
DPOL-2-V Human Herpesvirus 6 DNA Polymerase (cluster #2 Of 4), Viral Viruses 400 0.37 Binding ≤ 10μM
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 2), Other Other 438 0.37 Binding ≤ 10μM
Z50602-3-O Human Herpesvirus 1 (cluster #3 Of 5), Other Other 590 0.36 Functional ≤ 10μM
Z80583-2-O Vero (Kidney Cells) (cluster #2 Of 3), Other Other 580 0.36 ADME/T ≤ 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) 1.85 -1.19 -5.53 4 4 0 81 338.488 2 ↓

Parameters Provided:

target.name = DPOLA-2-E
target.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 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 'DPOLA-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=DPOLA-2-E&target.type=B10&filter.purchasability=purchasable

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