UCSF
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Analogs

34560864
34560864
34560868
34560868

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Popular Name: 2-[3-[2-(1,1-diphenylethylsulfonyl)ethyl]-2-(hydroxymethyl)benzofuran-7-yl]oxyacetic 2-[3-[2-(1,1-diphenylethylsulfon…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PI2R-1-E Prostanoid IP Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1900 0.23 Binding ≤ 10μM
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.34 Binding ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 310 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TA2R_HUMAN P21731 Thromboxane A2 Receptor, Human 4.3 0.33 Binding ≤ 1μM
PI2R_HUMAN P43119 Prostanoid IP Receptor, Human 1900 0.23 Binding ≤ 10μM
TA2R_HUMAN P21731 Thromboxane A2 Receptor, Human 4.3 0.33 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 3000 0.22 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) 4.22 8.97 -63.2 1 7 -1 117 493.557 10 ↓

Parameters Provided:

ring.id = 150462
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 = 150462 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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