Reaction Details Report a problem with these data
Target
Angiotensin-converting enzyme
Ligand
BDBM50407297
Substrate
n/a
Meas. Tech.
ChEMBL_36915 (CHEMBL647116)
IC50
20±n/a nM
Citation
 Fournié-Zaluski, MC; Coric, P; Turcaud, S; Rousselet, N; Gonzalez, W; Barbe, B; Pham, I; Jullian, N; Michel, JB; Roques, BP New dual inhibitors of neutral endopeptidase and angiotensin-converting enzyme: rational design, bioavailability, and pharmacological responses in experimental hypertension. J Med Chem 37:1070-83 (1994) [PubMed]  Article 
Target
Name:
Angiotensin-converting enzyme
Synonyms:
ACE_MOUSE | Ace | Dcp1
Type:
PROTEIN
Mol. Mass.:
150916.88
Organism:
Mus musculus
Description:
ChEMBL_34763
Residue:
1312
Sequence:
MGAASGQRGRWPLSPPLLMLSLLVLLLQPSPAPALDPGLQPGNFSPDEAGAQLFAESYNSSAEVVMFQSTVASWAHDTNITEENARRQEEAALVSQEFAEVWGKKAKELYESIWQNFTDSKLRRIIGSIRTLGPANLPLAQRQQYNSLLSNMSRIYSTGKVCFPNKTATCWSLDPELTNILASSRSYAKLLFAWEGWHDAVGIPLKPLYQDFTAISNEAYRQDDFSDTGAFWRSWYESPSFEESLEHIYHQLEPLYLNLHAYVRRALHRRYGDKYVNLRGPIPAHLLGDMWAQSWENIYDMVVPFPDKPNLDVTSTMVQKGWNATHMFRVSEEFFTSLGLSPMPPEFWAESMLEKPTDGREVVCHASAWDFYNRKDFRIKQCTRVTMEQLATVHHEMGHVQYYLQYKDLHVSLRRGANPGFHEAIGDVLALSVSTPAHLHKIGLLDHVTNDIESDINYLLKMALEKIAFLPFGYLVDQWRWGVFSGRTPPSRYNFDWWYLRTKYQGICPPVARNETHFDAGAKFHIPNVTPYIRYFVSFVLQFQFHQALCKEAGHQGPLHQCDIYQSAQAGAKLKQVLQAGCSRPWQEVLKDLVGSDALDAKALLEYFQPVSQWLEEQNQRNGEVLGWPENQWRPPLPDNYPEGIDLETDEAKADRFVEEYDRTAQVLLNEYAEANWQYNTNITIEGSKILLEKSTEVSNHTLKYGTRAKTFDVSNFQNSSIKRIIKKLQNLDRAVLPPKELEEYNQILLDMETTYSLSNICYTNGTCMPLEPDLTNMMATSRKYEELLWAWKSWRDKVGRAILPFFPKYVEFSNKIAKLNGYTDAGDSWRSLYESDNLEQDLEKLYQELQPLYLNLHAYVRRSLHRHYGSEYINLDGPIPAHLLGNMWAQTWSNIYDLVAPFPSAPNIDATEAMIKQGWTPRRIFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGREVVCHPSAWDFYNGKDFRIKQCTSVNMEDLVIAHHEMGHIQYFMQYKDLPVTFREGANPGFHEAIGDIMALSVSTPKHLYSLNLLSTEGSGYEYDINFLMKMALDKIAFIPFSYLIDQWRWRVFDGSITKENYNQEWWSLRLKYQGLCPPVPRSQGDFDPGSKFHVPANVPYVRYFVSFIIQFQFHEALCRAAGHTGPLHKCDIYQSKEAGKLLADAMKLGYSKPWPEAMKLITGQPNMSASAMMNYFKPLTEWLVTENRRHGETLGWPEYNWAPNTARAEGSTAESNRVNFLGLYLEPQQARVGQWVLLFLGVALLVATVGLAHRLYNIRNHHSLRRPHRGPQFGSEVELRHS
  
Inhibitor
Name:
BDBM50407297
Synonyms:
CHEMBL2052008
Type:
Small organic molecule
Emp. Form.:
C14H19NO3S
Mol. Mass.:
281.371
SMILES:
C[C@H](NC(=O)[C@H](CS)[C@@H](C)c1ccccc1)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: