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Target
Angiotensin-converting enzyme
Ligand
BDBM50017129
Substrate
n/a
Meas. Tech.
ChEBML_35219
IC50
140±n/a nM
Citation
 Blankley, CJ; Kaltenbronn, JS; DeJohn, DE; Werner, A; Bennett, LR; Bobowski, G; Krolls, U; Johnson, DR; Pearlman, WM; Hoefle, ML Synthesis and structure-activity relationships of potent new angiotensin converting enzyme inhibitors containing saturated bicyclic amino acids. J Med Chem 30:992-8 (1987) [PubMed]  Article 
Target
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:
MGAASGQRGRWPLSPPLLMLSLLLLLLLPPSPAPALDPGLQPGNFSADEAGAQLFADSYNSSAEVVMFQSTAASWAHDTNITEENARLQEEAALINQEFAEVWGKKAKELYESIWQNFTDQKLRRIIGSVQTLGPANLPLTQRLQYNSLLSNMSRIYSTGKVCFPNKTATCWSLDPELTNILASSRNYAKVLFAWEGWHDAVGIPLRPLYQDFTALSNEAYRQDGFSDTGAYWRSWYESPSFEESLEHLYHQVEPLYLNLHAFVRRALHRRYGDKYINLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLSPMPPEFWAESMLEKPADGREVVCHASAWDFYNRKDFRIKQCTRVTMDQLSTVHHEMGHVQYYLQYKDLHVSLRRGANPGFHEAIGDVLALSVSTPAHLHKIGLLDRVANDIESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNYDWWYLRTKYQGICPPVARNETHFDAGAKFHIPSVTPYIRYFVSFVLQFQFHQALCKEAGHQGPLHQCDIYQSTKAGAKLQQVLQAGCSRPWQEVLKDLVGSDALDASALMEYFQPVSQWLQEQNQRNGEVLGWPEYQWRPPLPDNYPEGIDLETDEAKANRFVEEYDRTAKVLWNEYAEANWHYNTNITIEGSKILLQKNKEVSNHTLKYGTWAKTFDVSNFQNSTIKRIIKKVQNVDRAVLPPNELEEYNQILLDMETTYSVANVCYTNGTCLSLEPDLTNIMATSRKYEELLWVWKSWRDKVGRAILPFFPKYVDFSNKIAKLNGYSDAGDSWRSSYESDDLEQDLEKLYQELQPLYLNLHAYVRRSLHRHYGSEYINLDGPIPAHLLGNMWAQTWSNIYDLVAPFPSAPSIDATEAMIKQGWTPRRIFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTSVNMEELVIAHHEMGHIQYFMQYKDLPVTFREGANPGFHEAIGDVLALSVSTPKHLHSLNLLSSEGSGYEHDINFLMKMALDKIAFIPFSYLIDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRSQGDFDPGSKFHVPANVPYIRYFISFIIQFQFHEALCRAAGHTGPLYKCDIYQSKEAGKLLADAMKLGYSKQWPEAMKIITGQPNMSASAIMNYFKPLTEWLVTENRRHGETLGWPEYTWTPNTARAEGSLPESSRVNFLGMYLEPQQARVGQWVLLFLGVALLVATVGLAHRLYNIHNHHSLRRPHRGPQFGSEVELRHS
  
Inhibitor
Name:
BDBM50017129
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
Type:
Small organic molecule
Emp. Form.:
C20H28N2O5
Mol. Mass.:
376.4467
SMILES:
CCOC(=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: