Target
Angiotensin-converting enzyme
Ligand
BDBM50021784
Substrate
n/a
Meas. Tech.
ChEMBL_35219 (CHEMBL648942)
IC50
11.0±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 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:
BDBM50021784
Synonyms:
(RSR)1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-octahydro-indole-2-carboxylic acid | (RSS)1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-octahydro-indole-2-carboxylic acid | (SSR)1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-octahydro-indole-2-carboxylic acid | (SSS)1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-octahydro-indole-2-carboxylic acid | CHEMBL3351100
Type:
Small organic molecule
Emp. Form.:
C22H30N2O5
Mol. Mass.:
402.484
SMILES:
[H][C@]12C[C@]([H])(N(C(=O)[C@H](C)N[C@H](CCc3ccccc3)C(O)=O)[C@@]1([H])CCCC2)C(O)=O
Structure:
Search PDB for entries with ligand similarity: