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Popular Name: (2S,3R)-3-(1-methylcyclopentoxy)-2-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl (2S,3R)-3-(1-methylcyclopentoxy)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PYGL-1-E Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.30 Binding ≤ 10μM
CP2C9-1-E Cytochrome P450 2C9 (cluster #1 Of 3), Eukaryotic Eukaryotes 7230 0.18 ADME/T ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYGL_HUMAN P06737 Liver Glycogen Phosphorylase, Human 159 0.24 Binding ≤ 1μM
PYGL_HUMAN P06737 Liver Glycogen Phosphorylase, Human 159 0.24 Binding ≤ 10μM
CP2C9_HUMAN P11712 Cytochrome P450 2C9, Human 7230 0.18 ADME/T ≤ 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) 3.68 14.04 -60.75 3 8 -1 120 530.645 8 ↓

Parameters Provided:

ring.id = 8482
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 = 8482 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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