UCSF
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Popular Name: 6-[2-(cyclohexylamino)-4-pyridyl]-4-piperazin-1-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one 6-[2-(cyclohexylamino)-4-pyridyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PKD1-1-E Polycystin-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 35 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PKD1_HUMAN P98161 Polycystin-1, Human 35 0.36 Binding ≤ 1μM
PKD1_HUMAN P98161 Polycystin-1, Human 35 0.36 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) 1.85 6.06 -62.28 4 7 1 87 393.515 4 ↓
Hi High (pH 8-9.5) 1.85 4.75 -12.56 3 7 0 82 392.507 4 ↓
Mid Mid (pH 6-8) 1.85 6.54 -97.26 5 7 2 88 394.523 4 ↓

Parameters Provided:

ring.id = 192491
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 = 192491 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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