UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-[1-[[3,5-diethoxy-4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-4-piperidyl]-5-methyl-pyridine-3-ca N-[1-[[3,5-diethoxy-4-[4-(triflu…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SSR5-1-E Somatostatin Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SSR5_HUMAN P35346 Somatostatin Receptor 5, Human 2.4 0.30 Binding ≤ 1μM
SSR5_HUMAN P35346 Somatostatin Receptor 5, Human 2.4 0.30 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) 5.63 12.6 -55.07 2 7 1 74 558.621 11 ↓
Hi High (pH 8-9.5) 5.63 10.34 -11.43 1 7 0 73 557.613 11 ↓

Analogs

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Popular Name: N-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]-4-piperidyl]-6-(methylamino)pyridine-3-carboxam N-[1-[[3,5-diethoxy-4-(4-fluorop…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SSR5-1-E Somatostatin Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SSR5_HUMAN P35346 Somatostatin Receptor 5, Human 2.5 0.33 Binding ≤ 1μM
SSR5_HUMAN P35346 Somatostatin Receptor 5, Human 2.5 0.33 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) 4.59 11.89 -55.58 3 7 1 77 507.63 10 ↓
Hi High (pH 8-9.5) 4.59 9.63 -12.59 2 7 0 76 506.622 10 ↓

Parameters Provided:

ring.id = 186857
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 = 186857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=186857&filter.purchasability=annotated

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