UCSF
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Popular Name: (5S)-5-[(6-methoxy-1-oxo-isoindolin-2-yl)methyl]-5-pyrazin-2-yl-imidazolidine-2,4-dione (5S)-5-[(6-methoxy-1-oxo-isoindo…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA17-1-E ADAM17 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADA17_HUMAN P78536 ADAM17, Human 0.7 0.49 Binding ≤ 1μM
ADA17_HUMAN P78536 ADAM17, Human 0.7 0.49 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) -0.20 0.66 -16.6 2 9 0 114 353.338 4 ↓
Mid Mid (pH 6-8) -0.02 -1.96 -51.05 1 9 -1 120 352.33 4 ↓

Parameters Provided:

ring.id = 578281
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 = 578281 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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