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Popular Name: 4-benzhydryl-N-butyl-1,4-diazepane-1-carboxamide 4-benzhydryl-N-butyl-1,4-diazepa…

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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 10000 0.26 Binding ≤ 10μM
NMUR1-1-E Neuromedin-U Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.26 Binding ≤ 10μM
NMUR2-1-E Neuromedin-U Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MC4R_HUMAN P32245 Melanocortin Receptor 4, Human 10000 0.26 Binding ≤ 10μM
NMUR1_HUMAN Q9HB89 Neuromedin-U Receptor 1, Human 10000 0.26 Binding ≤ 10μM
NMUR2_HUMAN Q9GZQ4 Neuromedin-U Receptor 2, Human 10000 0.26 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) 5.32 13.13 -42.33 2 4 1 37 366.529 6 ↓

Parameters Provided:

ring.id = 578217
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 = 578217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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