UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42852770
42852770
43589901
43589901

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Popular Name: 5alpha,8alpha-epidioxy-stigmasta-6,9(11),22E-trien-3beta-ol 5alpha,8alpha-epidioxy-stigmasta…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9N1N9-2-E Butyrylcholinesterase (cluster #2 Of 2), Eukaryotic Eukaryotes 6900 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9N1N9_HORSE Q9N1N9 Butyrylcholinesterase, Horse 5000 0.23 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) 7.03 11.22 -5.63 1 3 0 39 440.668 5 ↓

Parameters Provided:

ring.id = 93296
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 93296 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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