UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Spirapril Spirapril

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACE-1-E Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 92 0.32 Binding ≤ 10μM
ACE2-1-E Angiotensin-converting Enzyme 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 92 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 67 0.32 Binding ≤ 1μM
ACE2_RAT Q5EGZ1 Angiotensin-converting Enzyme-related Carboxypeptidase, Rat 92 0.32 Binding ≤ 1μM
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 67 0.32 Binding ≤ 10μM
ACE2_RAT Q5EGZ1 Angiotensin-converting Enzyme-related Carboxypeptidase, Rat 92 0.32 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) 1.19 12.34 -67.07 1 7 -1 99 465.617 10 ↓

Parameters Provided:

ring.id = 38654
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 = 38654 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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