UCSF

ZINC52957141

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 31 No

Popular Name: Trandolapril Trandolapril

Find On: PubMed — Wikipedia — Google

CAS Number: 87679-37-6

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

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 7500 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 170 0.31 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 100 0.32 Binding ≤ 1μM
ACE_RAT P47820 Angiotensin-converting Enzyme, Rat 170 0.31 Binding ≤ 10μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 100 0.32 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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

No pre-computed analogs available. Try a structural similarity search.