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Popular Name: 6-chloro-3-[(1E,3E)-4-(4-chlorophenyl)buta-1,3-dienyl]-2H-chromene 6-chloro-3-[(1E,3E)-4-(4-chlorop…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50622-1-O Human Rhinovirus 1B (cluster #1 Of 2), Other Other 540 0.40 Functional ≤ 10μM
Z50679-1-O Human Rhinovirus 14 (cluster #1 Of 2), Other Other 6250 0.33 Functional ≤ 10μM
Z50746-1-O Human Enterovirus 71 (cluster #1 Of 2), Other Other 6250 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50746 Z50746 Human Enterovirus 71 6250 0.33 Functional ≤ 10μM
Z50679 Z50679 Human Rhinovirus 14 6250 0.33 Functional ≤ 10μM
Z50622 Z50622 Human Rhinovirus 1B 540 0.40 Functional ≤ 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) 6.49 12.32 -5.23 0 1 0 9 329.226 3 ↓

Parameters Provided:

ring.id = 364999
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 = 364999 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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