UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3947435
3947435
3947436
3947436
3947437
3947437

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Popular Name: DEHYDROABIETYLAMINE DEHYDROABIETYLAMINE

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LOX5-6-E Arachidonate 5-lipoxygenase (cluster #6 Of 6), Eukaryotic Eukaryotes 8000 0.34 Binding ≤ 10μM
PDK1-1-E Pyruvate Dehydrogenase Kinase Isoform 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 9500 0.33 Binding ≤ 10μM
PDK2-1-E Pyruvate Dehydrogenase Kinase Isoform 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 9500 0.33 Binding ≤ 10μM
PDK3-1-E Pyruvate Dehydrogenase Kinase Isoform 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 9500 0.33 Binding ≤ 10μM
PDK4-1-E Pyruvate Dehydrogenase Kinase Isoform 4 (cluster #1 Of 2), Eukaryotic Eukaryotes 9500 0.33 Binding ≤ 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) 5.23 9.42 -46.88 3 1 1 28 286.483 2 ↓

Parameters Provided:

annotation.name = PDK4_HUMAN
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 'PDK4\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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