UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: ethyl ethyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCR8-1-E C-C Chemokine Receptor Type 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 2600 0.31 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) 4.48 12.64 -48.1 1 4 1 40 340.443 7 ↓

Analogs

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Popular Name: N-(4-morpholinosulfonyl-1-naphthyl)benzamide N-(4-morpholinosulfonyl-1-naphth…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCR8-1-E C-C Chemokine Receptor Type 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 7745 0.26 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) 3.10 6.57 -17.19 1 6 0 76 396.468 4 ↓

Analogs

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Popular Name: N-[4-[(4-methoxyphenyl)sulfamoyl]-1-naphthyl]benzamide N-[4-[(4-methoxyphenyl)sulfamoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCR8-1-E C-C Chemokine Receptor Type 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.33 Binding ≤ 10μM
CCR8-1-E C-C Chemokine Receptor Type 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.31 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) 4.76 8.17 -18.23 2 6 0 85 432.501 6 ↓
Hi High (pH 8-9.5) 4.76 8.19 -58.77 1 6 -1 87 431.493 6 ↓

Parameters Provided:

annotation.name = CCR8_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'CCR8\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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