UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4758337
4758337
5275811
5275811
5275908
5275908
5276646
5276646
5276735
5276735

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Popular Name: 5Alpha-androst-16-en-3alpha-ol 5Alpha-androst-16-en-3alpha-ol

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NR1I3-1-E Constitutive Androstane Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 250 0.46 Binding ≤ 10μM
Z80936-2-O HEK293 (Embryonic Kidney Fibroblasts) (cluster #2 Of 4), Other Other 200 0.47 ADME/T ≤ 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) 4.51 7.69 -2.28 1 1 0 20 274.448 0 ↓

Parameters Provided:

annotation.name = NR1I3_MOUSE
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 'NR1I3\\_MOUSE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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