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Popular Name: 1-[4-[2-[4-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]triazole 1-[4-[2-[4-(2,2-dimethylbutyl)-1…

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Activity (Go SEA)

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 390 0.37 Binding ≤ 10μM
BRS3-1-E Bombesin Receptor Subtype-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 93 0.41 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
BRS3_HUMAN P32247 Bombesin Like Receptor 3, Human 390 0.37 Binding ≤ 1μM
BRS3_HUMAN P32247 Bombesin Like Receptor 3, Human 390 0.37 Binding ≤ 10μM
BRS3_HUMAN P32247 Bombesin Like Receptor 3, Human 641 0.36 Functional ≤ 10μM
BRS3_MOUSE O54798 Bombesin Receptor Subtype-3, Mouse 111 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) 3.66 10.16 -44.82 2 5 1 61 324.452 7 ↓
Hi High (pH 8-9.5) 3.66 10.39 -13.44 1 5 0 59 323.444 7 ↓

Parameters Provided:

ring.id = 543720
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 = 543720 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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