UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

60237318
60237318
60237319
60237319

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Popular Name: Z-Pro-Prolinal Z-Pro-Prolinal

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CELA1-1-E Elastase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 52 0.42 Binding ≤ 10μM
PPCE-1-E Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
PPCE-1-E Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.53 Binding ≤ 10μM
PPCE-1-B Prolyl Endopeptidase (cluster #1 Of 1), Bacterial Bacteria 1 0.53 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) 1.74 7.94 -24.16 0 6 0 67 330.384 5 ↓

Parameters Provided:

annotation.name = PPCE_MOUSE
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 'PPCE\\_MOUSE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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

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