UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

52996380
52996380
29340935
29340935

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Popular Name: (2S)-1-[(2S)-2-[[(1R)-1-ethoxycarbonyl-3-phenyl-propyl]amino]propanoyl]-5-oxo-pyrrolidine-2-carboxyl (2S)-1-[(2S)-2-[[(1R)-1-ethoxyca…

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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 63 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 63 0.36 Binding ≤ 1μM
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 63 0.36 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) -0.17 11.26 -54.02 2 8 0 120 390.436 10 ↓
Mid Mid (pH 6-8) -0.17 10.35 -60.08 1 8 -1 116 389.428 10 ↓

Parameters Provided:

ring.id = 74186
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 = 74186 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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