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Popular Name: (2R,3R,4R,5R)-2-[2-[2-(2,4-dihydroxyphenyl)ethyl]-5-[(2R,3R,4R,5R)-3,4,5-trihydroxytetrahydropyran-2 (2R,3R,4R,5R)-2-[2-[2-(2,4-dihyd…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYRO-1-E Tyrosinase (cluster #1 Of 2), Eukaryotic Eukaryotes 730 0.24 Binding ≤ 10μM
TYRO-7-F Tyrosinase (cluster #7 Of 8), Fungal Fungi 730 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYRO_HUMAN P14679 Tyrosinase, Human 730 0.24 Binding ≤ 1μM
TYRO_AGABI O42713 Tyrosinase, Agabi 730 0.24 Binding ≤ 1μM
TYRO_HUMAN P14679 Tyrosinase, Human 730 0.24 Binding ≤ 10μM
TYRO_AGABI O42713 Tyrosinase, Agabi 730 0.24 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) -0.39 -6.62 -22.99 8 12 0 199 510.492 7 ↓

Parameters Provided:

ring.id = 168121
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 = 168121 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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