Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAngiotensin-converting enzyme
LigandBDBM50017129
Substrate/Competitorn/a
Meas. Tech.ChEBML_35219
IC50 140±n/a nM
Citation Blankley, CJKaltenbronn, JSDeJohn, DEWerner, ABennett, LRBobowski, GKrolls, UJohnson, DRPearlman, WMHoefle, ML Synthesis and structure-activity relationships of potent new angiotensin converting enzyme inhibitors containing saturated bicyclic amino acids. J Med Chem30:992-8 (1987) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Angiotensin-converting enzyme
Name:Angiotensin-converting enzyme
Synonyms:ACE_RAT | Ace | Angiotensin-converting enzyme | Dcp1
Type:PROTEIN
Mol. Mass.:150907.81
Organism:Rattus norvegicus
Description:ChEMBL_35219
Residue:1313
Sequence:
MGAASGQRGRWPLSPPLLMLSLLLLLLLPPSPAPALDPGLQPGNFSADEAGAQLFADSYN
SSAEVVMFQSTAASWAHDTNITEENARLQEEAALINQEFAEVWGKKAKELYESIWQNFTD
QKLRRIIGSVQTLGPANLPLTQRLQYNSLLSNMSRIYSTGKVCFPNKTATCWSLDPELTN
ILASSRNYAKVLFAWEGWHDAVGIPLRPLYQDFTALSNEAYRQDGFSDTGAYWRSWYESP
SFEESLEHLYHQVEPLYLNLHAFVRRALHRRYGDKYINLRGPIPAHLLGDMWAQSWENIY
DMVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLSPMPPEFWAESMLEKPADG
REVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHVQYYLQYKDLHVSLRRGANP
GFHEAIGDVLALSVSTPAHLHKIGLLDRVANDIESDINYLLKMALEKIAFLPFGYLVDQW
RWGVFSGRTPPSRYNYDWWYLRTKYQGICPPVARNETHFDAGAKFHIPSVTPYIRYFVSF
VLQFQFHQALCKEAGHQGPLHQCDIYQSTKAGAKLQQVLQAGCSRPWQEVLKDLVGSDAL
DASALMEYFQPVSQWLQEQNQRNGEVLGWPEYQWRPPLPDNYPEGIDLETDEAKANRFVE
EYDRTAKVLWNEYAEANWHYNTNITIEGSKILLQKNKEVSNHTLKYGTWAKTFDVSNFQN
STIKRIIKKVQNVDRAVLPPNELEEYNQILLDMETTYSVANVCYTNGTCLSLEPDLTNIM
ATSRKYEELLWVWKSWRDKVGRAILPFFPKYVDFSNKIAKLNGYSDAGDSWRSSYESDDL
EQDLEKLYQELQPLYLNLHAYVRRSLHRHYGSEYINLDGPIPAHLLGNMWAQTWSNIYDL
VAPFPSAPSIDATEAMIKQGWTPRRIFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGRE
VVCHASAWDFYNGKDFRIKQCTSVNMEELVIAHHEMGHIQYFMQYKDLPVTFREGANPGF
HEAIGDVLALSVSTPKHLHSLNLLSSEGSGYEHDINFLMKMALDKIAFIPFSYLIDQWRW
RVFDGSITKENYNQEWWSLRLKYQGLCPPVPRSQGDFDPGSKFHVPANVPYIRYFISFII
QFQFHEALCRAAGHTGPLYKCDIYQSKEAGKLLADAMKLGYSKQWPEAMKIITGQPNMSA
SAIMNYFKPLTEWLVTENRRHGETLGWPEYTWTPNTARAEGSLPESSRVNFLGMYLEPQQ
ARVGQWVLLFLGVALLVATVGLAHRLYNIHNHHSLRRPHRGPQFGSEVELRHS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50017129
n/a
NameBDBM50017129
Synonyms:(S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-ylamino)propanoyl)pyrrolidine-2-carboxylic acid | (S)-1-[(R)-2-((R)-1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid | (S)-1-{(S)-2-[1-((S)-Ethoxycarbonyl)-3-phenyl-propylamino]-propionyl}-pyrrolidine-2-carboxylic acid | (S,S,S)-1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid | (SSS)1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid | 1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid | 1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid (Enalapril) | 1-[2-(1-Ethoxycarbonyl-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid(Enalapril) | 2-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid(enalapril) | CHEMBL578 | ENALAPRIL | Enalapril maleate | Lexxel | Teczem | Vaseretic | Vasotec
TypeSmall organic molecule
Emp. Form.C20H28N2O5
Mol. Mass.376.4467
SMILESCCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: