UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Closantel Closantel

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q25615-1-E Chitinase (cluster #1 Of 1), Eukaryotic Eukaryotes 468 0.30 Binding ≤ 10μM
KINA-1-B Sporulation Kinase A (cluster #1 Of 1), Bacterial Bacteria 3800 0.25 Functional ≤ 10μM
SP0F-1-B Sporulation Initiation Phosphotransferase F (cluster #1 Of 1), Bacterial Bacteria 3800 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) 8.19 -0.06 -10.14 2 4 0 73 663.08 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Closantel Closantel

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q25615-1-E Chitinase (cluster #1 Of 1), Eukaryotic Eukaryotes 468 0.30 Binding ≤ 10μM
KINA-1-B Sporulation Kinase A (cluster #1 Of 1), Bacterial Bacteria 3800 0.25 Functional ≤ 10μM
SP0F-1-B Sporulation Initiation Phosphotransferase F (cluster #1 Of 1), Bacterial Bacteria 3800 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) 8.17 -0.07 -10.53 2 4 0 73 663.08 4 ↓

Parameters Provided:

annotation.name = KINA_BACSU
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 'KINA\\_BACSU' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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

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