UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: Helioxanthin 8-1 Helioxanthin 8-1

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50515-1-O Human Herpesvirus 2 (cluster #1 Of 2), Other Other 1400 0.29 Functional ≤ 10μM
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 5), Other Other 1400 0.29 Functional ≤ 10μM
Z50606-2-O Hepatitis B Virus (cluster #2 Of 3), Other Other 900 0.30 Functional ≤ 10μM
Z50627-1-O Human Papillomavirus Type 11 (cluster #1 Of 1), Other Other 5800 0.26 Functional ≤ 10μM
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 10000 0.25 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) 3.73 2.92 -47.42 1 8 -1 106 375.316 1 ↓
Lo Low (pH 4.5-6) 3.73 1.81 -21.55 2 8 0 103 376.324 1 ↓

Parameters Provided:

target.name = Z50627-1-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 'Z50627-1-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=Z50627-1-O&target.type=F10&filter.purchasability=purchasable

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