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Popular Name: 4-(2,2-dimethylbutyl)-2-[2-(4-pyrazol-1-ylphenyl)ethyl]-1H-imidazole 4-(2,2-dimethylbutyl)-2-[2-(4-py…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
BRS3-1-E Bombesin Receptor Subtype-3 (cluster #1 Of 2), Eukaryotic Eukaryotes 33 0.44 Binding ≤ 10μM
BRS3-1-E Bombesin Receptor Subtype-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 135 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BRS3_HUMAN P32247 Bombesin Like Receptor 3, Human 33 0.44 Binding ≤ 1μM
BRS3_HUMAN P32247 Bombesin Like Receptor 3, Human 33 0.44 Binding ≤ 10μM
BRS3_HUMAN P32247 Bombesin Like Receptor 3, Human 106 0.41 Functional ≤ 10μM
BRS3_MOUSE O54798 Bombesin Receptor Subtype-3, Mouse 113 0.41 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) 4.19 11.46 -39.99 2 4 1 48 323.464 7 ↓
Hi High (pH 8-9.5) 4.19 11.68 -10.65 1 4 0 47 322.456 7 ↓

Parameters Provided:

ring.id = 543718
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 = 543718 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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