UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: sFRP-1Inhibitor sFRP-1Inhibitor

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SFRP1-1-E Secreted Frizzled-related Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1270 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) 2.99 6.11 -49.8 2 6 1 85 411.569 9 ↓

Analogs

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Popular Name: 5-(benzenesulfonyl)-N-(4-piperidyl)-2-(trifluoromethyl)benzenesulfonamide 5-(benzenesulfonyl)-N-(4-piperid…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SFRP1-1-E Secreted Frizzled-related Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.30 Binding ≤ 10μM
WNT3-1-E Proto-oncogene Protein Wnt-3 (cluster #1 Of 1), Eukaryotic Eukaryotes 650 0.30 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) 2.50 3.85 -57.89 3 6 1 97 449.496 6 ↓

Analogs

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Popular Name: 2-[[2-[(5S)-2-imino-4-keto-thiazolidin-5-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic-acid-m 2-[[2-[(5S)-2-imino-4-keto-thiaz…

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And 7 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SFRP1-1-E Secreted Frizzled-related Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7200 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) 0.68 3.76 -12.39 3 7 0 108 341.414 5 ↓
Hi High (pH 8-9.5) 0.55 2.51 -39.69 2 7 -1 108 340.406 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[(5R)-2-imino-4-keto-thiazolidin-5-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic-acid-m 2-[[2-[(5R)-2-imino-4-keto-thiaz…

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Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SFRP1-1-E Secreted Frizzled-related Protein 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7200 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) 0.68 3.76 -12.32 3 7 0 108 341.414 5 ↓
Hi High (pH 8-9.5) 0.55 2.5 -39.3 2 7 -1 108 340.406 5 ↓

Parameters Provided:

annotation.name = SFRP1_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 'SFRP1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=SFRP1_HUMAN&filter.purchasability=purchasable

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