PPIRE04987
Target Protein Information
| Protein_Name | Angiotensin-converting enzyme |
|---|---|
| Protein_Sequence | MGAASGCRWPWPPLLPLLLMLLLPPPPLPVALALDSALQPGNFTADEAGAEDFAQSFNSSSEQVLFQSTAASWAHDTNITEENARRQEEAALISQEFSEVWGQKAKALYDPIWQNFTSRTLRRIIGVVRTLGSANLSPAKRQQYNSLLSNMTRIYSTAKVCFPNKTATCWSLDPELTNILATSRSYTLLLYAWEGWHNAAGIPLKPLYQDFTALSNEAYKQDGFSDTGAYWRSLYDSPTFTEDLERLYHQLEPLYLNLHAYVRRALHRQYGDRFINLRGPIPAHLLGNMWAQSWNNIYDMVVPFPGKPSLDVTSAMVQKGWNVTHMFRVAEEFFTSLGLLPMPPEFWAESMLEKPSDGREVVCHASAWDFYNRKDFRIKQCTQVTMDQLSTVHHEMGHVQYYLQYKDQHVSLRRGANPGFHEAIGDVLALSVSTPAHLHKIGLLDHVTSDWESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPLYNYDWWYLRTKYQGVCPPVVRNETHFDAGAKYHVPNVTPYIRYFVSFILQFQFHQALCKEAGHQGPLHQCDIYQSTRAGAKLRAVLQAGSSRPWQEVLKDMVGSGALDAQPLLDYFQPVTQWLEEQNQRSGDILGWPEYQWRPPMPDNYPEGIDLVSDEAEASKFVEEYDRRSQVVLNEYAEANWDYNTNITAEGSKRVLEKSTQMANHTVKYGIWARKFDVANIQNFTLKRMIKKIQDLERAALPFKELEEYNQILLDMETAYSVASVCHANSTCLQLEPDLTNLMATSRSYEELLWAWKGWRDKVGRAILPYFPKYVELTNKAARLNGYEDGGDAWRAAYEMPFLEQELEQLFQELQPLYLNLHAYVRRALHHHYGPEHINLEGPIPAHLLGNMWAQTWSNIYDLVVPFPSASKMDASEAMINQGWTPQRMFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFFNGKDFRIKQCTTVNMEDLVVAHHEMGHIQYFMQYKDLPVTFREGANPGFHEAIGDVLALSVSTPKHLRSINLLKSEDDGYEEDINFLMKMALDKVAFVPFSYLVDQWRWRVFDRSITKENYNQEWWSLRLKYQGLCPPVARSQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCQAAGHKGPLHKCDIYQSKEAGRRLADAMKLGLSKPWPEAMQLITGQPNVSASAMMTYFKPLLDWLVTENGRHGEKLGWPQYNWTPNSARLEGSFAGTGRVNFLGLNLEEQQARVGQWVLLFLGVTLLVATMGLTQRLFSIRHQILRRTHRGPQFGSEVELRHS |
| Organism_Source | Sus scrofa |
| Functional_Classification | metalloproteases |
| Cellular_Localization | Plasma membrane |
| Gene_Names | ACE |
| UniProt_ID | F1RRW5 |
| Protein-Protein Interaction Networks | |
Peptide Basic Information
| Peptide_Name | silanol 30 |
|---|---|
| Peptide_Sequence | LXGP |
| Peptide_Length | 4 |
| Peptide_SMILES | CC(C)C[C@H](N)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)O |
| Chemical_Modification | X2=hydroxymethylphenylsilyl |
| Cyclization_Method | None |
| Linear/Cyclic | Linear |
| N-terminal_Modification | Benzoyl |
| C-terminal_Modification | Free |
| Amino_Acid_Distribution | |
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Peptide Physicochemical
| Molecular_Weight | 342.40 |
|---|---|
| Aliphatic_Index | 97.50000 |
| Aromaticity | 0.00000 |
| Average_Rotatable_Bonds | 2.00000 |
| Charge_at_pH_7 | -0.00202 |
| Isoelectric_Point | 6.10000 |
|---|---|
| Number_of_Hydrogen_Bond_Acceptors | 5 |
| Number_of_Hydrogen_Bond_Donors | 4 |
| Topological_Polar_Surface_Area | 141.83000 |
| X_logP_energy | -1.33220 |
Interaction Information
| Affinity | IC50=3 uM |
|---|---|
| Affinity_Assay | Enzyme Inhibition Kinetics |
| PDB_ID | None |
| Type | Inhibitor |
| Structure | |
Reference Information
| Document_Type | Research Articles |
|---|---|
| Title | Silicon-based metalloprotease inhibitors: synthesis and evaluation of silanol and silanediol peptide analogues as inhibitors of angiotensin-converting enzyme. |
| Release_Year | 2002 |
| PMID | 12071745 |
| DOI | 10.1021/ja026158w |