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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
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Analogs

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Popular Name: 7-[(2S)-2-[(3R)-3-hydroxy-4-[3-(2-methoxyethyl)phenyl]butyl]-5-oxo-pyrrolidin-1-yl]heptanoic 7-[(2S)-2-[(3R)-3-hydroxy-4-[3-(…

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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 210 0.31 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 92 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 210 0.31 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 210 0.31 Binding ≤ 10μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 92 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) 3.20 10.86 -56.5 1 6 -1 90 418.554 15 ↓
Lo Low (pH 4.5-6) 3.20 8.89 -17.53 2 6 0 87 419.562 15 ↓

Analogs

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Popular Name: 7-[(2S)-2-[(3R)-3-hydroxy-4-[3-(trifluoromethoxy)phenyl]butyl]-5-oxo-pyrrolidin-1-yl]heptanoic 7-[(2S)-2-[(3R)-3-hydroxy-4-[3-(…

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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 59 0.33 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 50 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 59 0.33 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 59 0.33 Binding ≤ 10μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 50 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) 4.00 10.15 -57.6 1 6 -1 90 444.47 14 ↓
Lo Low (pH 4.5-6) 4.00 8.18 -18.19 2 6 0 87 445.478 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2S)-2-[(3R)-4-(3-cyanophenyl)-3-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl]heptanoic 7-[(2S)-2-[(3R)-4-(3-cyanophenyl…

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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 388 0.32 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 96 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 388 0.32 Binding ≤ 1μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 388 0.32 Binding ≤ 10μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 96 0.35 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) 2.79 10.74 -60.27 1 6 -1 104 385.484 12 ↓
Lo Low (pH 4.5-6) 2.79 8.77 -20.38 2 6 0 102 386.492 12 ↓

Parameters Provided:

ring.id = 77752
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 = 77752 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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