UCSF
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Analogs

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Popular Name: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid (2S)-2-(biphenyl-4-yloxy)-3-phen…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPARA-1-E Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic Eukaryotes 500 0.37 Binding ≤ 10μM
PPARG-1-E Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic Eukaryotes 560 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PPARA_HUMAN Q07869 Peroxisome Proliferator-activated Receptor Alpha, Human 190 0.39 Binding ≤ 1μM
PPARA_MOUSE P23204 Peroxisome Proliferator-activated Receptor Alpha, Mouse 0.2 0.57 Binding ≤ 1μM
PPARG_HUMAN P37231 Peroxisome Proliferator-activated Receptor Gamma, Human 480 0.37 Binding ≤ 1μM
PPARA_HUMAN Q07869 Peroxisome Proliferator-activated Receptor Alpha, Human 190 0.39 Binding ≤ 10μM
PPARA_MOUSE P23204 Peroxisome Proliferator-activated Receptor Alpha, Mouse 0.2 0.57 Binding ≤ 10μM
PPARG_HUMAN P37231 Peroxisome Proliferator-activated Receptor Gamma, Human 480 0.37 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) 4.83 12.27 -51.84 0 3 -1 49 317.364 6 ↓

Analogs

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Popular Name: [1,1'-biphenyl]-3-amine, 4-(2-phenylethoxy)- [1,1'-biphenyl]-3-amine, 4-(2-ph…

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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) 5.00 9.96 -5.34 2 2 0 35 289.378 5 ↓

Analogs

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Popular Name: [1,1'-biphenyl]-3-carboxaldehyde, 4-(2-phenylethoxy)- [1,1'-biphenyl]-3-carboxaldehyde…

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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) 5.31 11.76 -7.95 0 2 0 26 302.373 6 ↓

Parameters Provided:

ring.id = 150547
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 = 150547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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