UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

198966
198966
34549385
34549385
34549386
34549386

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Popular Name: 1-(6-amino-2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone 1-(6-amino-2,2,4-trimethyl-4-phe…

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Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FSHR-1-E Follicle Stimulating Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4400 0.33 Functional ≤ 10μM
Z80092-2-O CHO-K1 (Ovarian Cells) (cluster #2 Of 2), Other Other 4400 0.33 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) 3.36 0.75 -7.3 2 3 0 46 308.425 1 ↓

Analogs

34549385
34549385
34549386
34549386
198959
198959

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(6-amino-2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethanone 1-(6-amino-2,2,4-trimethyl-4-phe…

Find On: PubMed — Wikipedia — Google

Vendors

And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FSHR-1-E Follicle Stimulating Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 4400 0.33 Functional ≤ 10μM
Z80092-2-O CHO-K1 (Ovarian Cells) (cluster #2 Of 2), Other Other 4400 0.33 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) 3.36 0.75 -7.26 2 3 0 46 308.425 1 ↓

Parameters Provided:

target.name = FSHR-1-E
target.type = F10
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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'FSHR-1-E' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=FSHR-1-E&target.type=F10&filter.purchasability=purchasable

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