UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36160009
36160009
36160015
36160015
36160020
36160020

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Popular Name: 4-[3-[(2R)-2-[(3R)-3-hydroxy-4-(3-phenoxyphenyl)butyl]-5-oxo-pyrrolidin-1-yl]propyl]benzoic 4-[3-[(2R)-2-[(3R)-3-hydroxy-4-(…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 220 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 220 0.26 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 220 0.26 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) 5.72 14.62 -62.7 1 6 -1 90 486.588 12 ↓

Analogs

36160015
36160015
36160020
36160020
36160003
36160003

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(2R)-2-[(3S)-3-hydroxy-4-(3-phenoxyphenyl)butyl]-5-oxo-pyrrolidin-1-yl]propyl]benzoic 4-[3-[(2R)-2-[(3S)-3-hydroxy-4-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 220 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 220 0.26 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 220 0.26 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) 5.72 14.68 -62.32 1 6 -1 90 486.588 12 ↓

Analogs

36160020
36160020
36160003
36160003

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(2S)-2-[(3R)-3-hydroxy-4-(3-phenoxyphenyl)butyl]-5-oxo-pyrrolidin-1-yl]propyl]benzoic 4-[3-[(2S)-2-[(3R)-3-hydroxy-4-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 220 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 220 0.26 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 220 0.26 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) 5.72 14.6 -64.22 1 6 -1 90 486.588 12 ↓

Analogs

36160003
36160003

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(2S)-2-[(3S)-3-hydroxy-4-(3-phenoxyphenyl)butyl]-5-oxo-pyrrolidin-1-yl]propyl]benzoic 4-[3-[(2S)-2-[(3S)-3-hydroxy-4-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 220 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 220 0.26 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 220 0.26 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) 5.72 14.6 -63.82 1 6 -1 90 486.588 12 ↓

Parameters Provided:

ring.id = 77771
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 = 77771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77771&filter.purchasability=annotated

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