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Popular Name: (3S,5S)-5-[(11R)-11-hydroxy-11-[(2R,5S)-5-[(2S,5R)-5-[(1S)-1-hydroxyundecyl]tetrahydrofuran-2-yl]tet (3S,5S)-5-[(11R)-11-hydroxy-11-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DUOX2-1-E Thyroid Oxidase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
Z50591-1-O Bos Taurus (cluster #1 Of 3), Other Other 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50591 Z50591 Bos Taurus 0.18 0.31 Binding ≤ 1μM
DUOX2_HUMAN Q9NRD8 Thyroid Oxidase 2, Human 0.18 0.31 Binding ≤ 1μM
Z50591 Z50591 Bos Taurus 0.18 0.31 Binding ≤ 10μM
DUOX2_HUMAN Q9NRD8 Thyroid Oxidase 2, Human 0.18 0.31 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) 8.23 16.38 -12.01 3 7 0 105 624.944 25 ↓

Parameters Provided:

ring.id = 7905
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 = 7905 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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