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Target
Angiotensin-converting enzyme
Ligand
BDBM50021798
Substrate
n/a
Meas. Tech.
ChEBML_35219
IC50
>100000±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:
BDBM50021798
Synonyms:
(SSS)2-(3-Methyl-1,4-dioxo-decahydro-pyrazino[1,2-a]indol-2-yl)-4-phenyl-butyric acid ethyl ester | CHEMBL368191
Type:
Small organic molecule
Emp. Form.:
C24H32N2O4
Mol. Mass.:
412.5219
SMILES:
CCOC(=O)C(CCc1ccccc1)N1C(C)C(=O)N2C3CCCCC3CC2C1=O
Structure:
Search PDB for entries with ligand similarity: