UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

40915798
40915798
40915800
40915800

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Popular Name: N-[3-[(4aS,7aR)-1-(cyclobutylmethyl)-4-hydroxy-2-oxo-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-3- N-[3-[(4aS,7aR)-1-(cyclobutylmet…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50643-2-O Hepatitis C Virus (cluster #2 Of 5), Other Other 700 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50643 Z50643 Hepatitis C Virus 700 0.26 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) 1.08 2.84 -27.03 1 10 0 144 493.587 5 ↓
Hi High (pH 8-9.5) 1.67 3.01 -218.43 0 10 -3 152 491.571 5 ↓
Mid Mid (pH 6-8) 1.08 2.29 -28.22 1 10 0 144 493.587 5 ↓

Parameters Provided:

ring.id = 587053
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 = 587053 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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