Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-1-[(2S)-6-amino-2-[[(1S)-1-carboxy-3-phenyl-propyl]amino]hexanoyl]proline;hydrate
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 PubChem ID
CID: 5362119
SID: 14806092
Canonical SMILES
NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1CCC[C@H]1C(O)=O
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Compound Formula C21H31N3O5
Compound Structure
Protein Name
 Protein Info 
Angiotensin-converting enzyme
Protein Classification
Enzyme
>
Protease
>
Metallo protease
>
Metallo protease MAE clan
>
Metallo protease M2 family
Uniprot ID
P12821
Gene Name
ACE
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
Ki = 1.2 nM
   TI
   LI
   LO
   TS
2
Ki = 4.8 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.1 nM
2 IC50 = 1.2 nM
3 IC50 = 4.7 nM
4 IC50 = 7.92 nM
5 Ki = 51 nM
6 Ki = 131.5 nM