UCSF

ZINC05851742

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 29 No

Popular Name: benazeprilat benazeprilat

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CAS Number: 86541-78-8

Download: MOL2 SDF SMILES Flexibase

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) 0.07 0.09 -88.1 2 7 -1 117 395.435 8 ↓

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 2 0.42 Binding ≤ 10μM
ACE-1-E Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 1.7 0.42 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 10 0.39 Binding ≤ 1μM
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 1.7 0.42 Binding ≤ 10μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 10 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

Analogs ( Draw Identity 99% 90% 80% 70% )