Reaction Details Report a problem with these data
Target
Angiotensin-converting enzyme
Ligand
BDBM50189521
Substrate
n/a
Meas. Tech.
ChEMBL_405832 (CHEMBL869864)
Ki
313000±n/a nM
Citation
 Nchinda, AT; Chibale, K; Redelinghuys, P; Sturrock, ED Synthesis of novel keto-ACE analogues as domain-selective angiotensin I-converting enzyme inhibitors. Bioorg Med Chem Lett 16:4612-5 (2006) [PubMed]  Article 
Target
Name:
Angiotensin-converting enzyme
Synonyms:
3.2.1.- | 3.4.15.1 | ACE | ACE_RABIT | Angiotensin-converting enzyme, soluble form | CD_antigen=CD143 | DCP1 | Dipeptidyl carboxypeptidase I | Kininase II
Type:
n/a
Mol. Mass.:
150405.15
Organism:
Oryctolagus cuniculus
Description:
n/a
Residue:
1310
Sequence:
MGAAPGRRGPRLLRPPPPLLLLLLLLRPPPAALTLDPGLLPGDFAADEAGARLFASSYNSSAEQVLFRSTAASWAHDTNITAENARRQEEEALLSQEFAEAWGKKAKELYDPVWQNFTDPELRRIIGAVRTLGPANLPLAKRQQYNSLLSNMSQIYSTGKVCFPNKTASCWSLDPDLNNILASSRSYAMLLFAWEGWHNAVGIPLKPLYQEFTALSNEAYRQDGFSDTGAYWRSWYDSPTFEEDLERIYHQLEPLYLNLHAYVRRVLHRRYGDRYINLRGPIPAHLLGNMWAQSWESIYDMVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLLPMPPEFWAESMLEKPEDGREVVCHASAWDFYNRKDFRIKQCTQVTMDQLSTVHHEMGHVQYYLQYKDQPVSLRRANPGFHEAIGDVLALSVSTPAHLHKIGLLDHVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPSSRYNFDWWYLRTKYQGICPPVVRNETHFDAGAKFHIPSVTPYIRYFVSFVLQFQFHQALCMEAGHQGPLHQCDIYQSTRAGAKLRAVLQAGCSRPWQEVLKDMVASDALDAQPLLDYFQPVTQWLQEQNERNGEVLGWPEYQWRPPLPNNYPEGIDLVTDEAEASRFVEEYDRSFQAVWNEYAEANWNYNTNITTEASKILLQKNMQIANHTLTYGNWARRFDVSNFQNATSKRIIKKVQDLQRAVLPVKELEEYNQILLDMETIYSVANVCRVDGSCLQLEPDLTNLMATSRKYDELLWVWTSWRDKVGRAILPYFPKYVEFTNKAARLNGYVDAGDSWRSMYETPTLEQDLERLFQELQPLYLNLHAYVGRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDLVAPFPSASTMDATEAMIKQGWTPRRMFEEADKFFISLGLLPVPPEFWNKSMLEKPTDGREVVCHASAWDFYNGKDFRIKQCTTVNMEDLVVVHHEMGHIQYFMQYKDLPVALREGANPGFHEAIGDVLALSVSTPKHLHSINLLSSEGGGYEHDINFLMKMALDKIAFIPFSYLVDEWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPAPRSQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQFHEALCKAAGHTGPLHTCDIYQSKEAGKRLADAMKLGYSKPWPEAMKVITGQPNMSASAMMNYFKPLMDWLLTENGRHGEKLGWPQYTWTPNSARSEGSLPDSGRVNFLGMNLDAQQARVGQWVLLFLGVALLLASLGLTQRLFSIRYQSLRQPHHGPQFGSEVELRHS
  
Inhibitor
Name:
BDBM50189521
Synonyms:
(S)-2-((S)-5-(tert-butoxycarbonyl)-4-oxo-6-phenylhexanamido)-3-phenylpropanoic acid | CHEMBL212864
Type:
Small organic molecule
Emp. Form.:
C26H32N2O6
Mol. Mass.:
468.5421
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)CCC(=O)N[C@@H](Cc1ccccc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: