UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36160045
36160045

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Popular Name: 5-[3-[(2S)-2-[(3R)-3-hydroxy-4-(2-phenylphenyl)butyl]-5-oxo-pyrrolidin-1-yl]propyl]thiophene-2-carbo 5-[3-[(2S)-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
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 125 0.28 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1600 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R2_RAT Q62928 Prostanoid EP2 Receptor, Rat 125 0.28 Binding ≤ 1μM
PE2R2_RAT Q62928 Prostanoid EP2 Receptor, Rat 125 0.28 Binding ≤ 10μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 1600 0.24 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) 5.29 14.22 -58.81 1 5 -1 81 476.618 11 ↓

Analogs

36160039
36160039

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Popular Name: 5-[3-[(2S)-2-[(3S)-3-hydroxy-4-(2-phenylphenyl)butyl]-5-oxo-pyrrolidin-1-yl]propyl]thiophene-2-carbo 5-[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
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 125 0.28 Binding ≤ 10μM
PE2R4-1-E Prostanoid EP4 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 1600 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PE2R2_RAT Q62928 Prostanoid EP2 Receptor, Rat 125 0.28 Binding ≤ 1μM
PE2R2_RAT Q62928 Prostanoid EP2 Receptor, Rat 125 0.28 Binding ≤ 10μM
PE2R4_RAT P43114 Prostanoid EP4 Receptor, Rat 1600 0.24 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) 5.29 14.27 -58.49 1 5 -1 81 476.618 11 ↓

Parameters Provided:

ring.id = 77796
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 = 77796 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=77796&filter.purchasability=annotated

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