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Popular Name: [(1R,2R,4R)-2-(4-chlorophenyl)-4-dimethylamino-cyclopentyl]-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethy [(1R,2R,4R)-2-(4-chlorophenyl)-4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MC4R-1-E Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 890 0.24 Binding ≤ 10μM
MC4R-1-E Melanocortin Receptor 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 90 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 114 0.28 Binding ≤ 1μM
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 1020 0.24 Binding ≤ 10μM
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 1.02 0.36 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) 5.11 17.24 -60.74 1 6 1 55 499.123 6 ↓

Parameters Provided:

ring.id = 224666
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 = 224666 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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