UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36160056
36160056
36160061
36160061
36160067
36160067

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

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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 47 0.29 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 440 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 47 0.29 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 47 0.29 Binding ≤ 10μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 440 0.25 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) 5.76 15.15 -61.86 1 5 -1 81 470.589 11 ↓

Analogs

36160061
36160061
36160067
36160067
36160051
36160051

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(2R)-2-[(3S)-3-hydroxy-4-(3-phenylphenyl)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 47 0.29 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 440 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 47 0.29 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 47 0.29 Binding ≤ 10μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 440 0.25 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) 5.76 15.18 -61.49 1 5 -1 81 470.589 11 ↓

Analogs

36160067
36160067
36160051
36160051

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(2S)-2-[(3R)-3-hydroxy-4-(3-phenylphenyl)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 47 0.29 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 440 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 47 0.29 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 47 0.29 Binding ≤ 10μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 440 0.25 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) 5.76 15.09 -62.46 1 5 -1 81 470.589 11 ↓

Analogs

36160051
36160051

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[3-[(2S)-2-[(3S)-3-hydroxy-4-(3-phenylphenyl)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 47 0.29 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 440 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 47 0.29 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 47 0.29 Binding ≤ 10μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 440 0.25 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) 5.76 15.12 -61.82 1 5 -1 81 470.589 11 ↓

Parameters Provided:

ring.id = 77806
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 = 77806 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77806&filter.purchasability=annotated

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