UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

8101191
8101191
8101192
8101192

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Popular Name: Tobramycin Tobramycin

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100263-1-O Ribosomal RNA A-site (cluster #1 Of 1), Other Other 1500 0.25 Binding ≤ 10μM
Q77YF8-1-V Human Immunodeficiency Virus Type 1 REV (cluster #1 Of 1), Viral Viruses 4110 0.24 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) -5.70 -18.36 -415.88 20 14 5 276 472.56 6 ↓
Hi High (pH 8-9.5) -5.70 -19.41 -127.49 17 14 2 271 469.536 6 ↓
Hi High (pH 8-9.5) -5.70 -19.38 -111.17 17 14 2 271 469.536 6 ↓

Parameters Provided:

annotation.name = Q77YF8_9HIV1
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 'Q77YF8\\_9HIV1' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=Q77YF8_9HIV1&filter.purchasability=purchasable

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