UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: CAY10638 CAY10638

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGDH-1-E 15-hydroxyprostaglandin Dehydrogenase [NAD+] (cluster #1 Of 1), Eukaryotic Eukaryotes 31 0.48 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) 3.24 6.17 -8.7 1 4 0 59 331.418 5 ↓

Analogs

8971535
8971535

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Popular Name: (5Z)-5-[[4-(p-tolylmethoxy)phenyl]methylene]thiazolidine-2,4-dione (5Z)-5-[[4-(p-tolylmethoxy)pheny…

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And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGDH-1-E 15-hydroxyprostaglandin Dehydrogenase [NAD+] (cluster #1 Of 1), Eukaryotic Eukaryotes 232 0.40 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) 3.58 6.96 -8.79 1 4 0 59 325.389 4 ↓

Analogs

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Popular Name: (5Z)-5-[[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylene]thiazolidine-2,4-dione (5Z)-5-[[4-(1,3-benzodioxol-5-yl…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PGDH-1-E 15-hydroxyprostaglandin Dehydrogenase [NAD+] (cluster #1 Of 1), Eukaryotic Eukaryotes 252 0.37 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) 3.02 4.95 -13.12 1 6 0 78 355.371 4 ↓

Parameters Provided:

target.name = PGDH-1-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'PGDH-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=PGDH-1-E&target.type=B10&filter.purchasability=purchasable

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