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Popular Name: 2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-(2-phenylethynyl)quinoxalin-6-amine 2-[[(2S)-1-methylpyrrolidin-2-yl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CTNB1-2-E Catenin Beta-1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3800 0.28 Binding ≤ 10μM
WNT2-1-E Protein Wnt-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3800 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CTNB1_HUMAN P35222 Catenin Beta-1, Human 3800 0.28 Binding ≤ 10μM
WNT2_HUMAN P09544 Protein Wnt-2, Human 3800 0.28 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) 3.05 7.94 -36.17 3 5 1 65 359.453 3 ↓
Hi High (pH 8-9.5) 3.05 5.54 -12.12 2 5 0 64 358.445 3 ↓

Parameters Provided:

ring.id = 367107
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 = 367107 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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