| Reaction Details |
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 | Report a problem with these data |
| Target | Angiotensin-converting enzyme |
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| Ligand | BDBM21486 |
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| Substrate/Competitor | BDBM21490 |
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| Meas. Tech. | Enzyme Inhibition Assay |
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| pH | 7.5±n/a |
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| Temperature | 295.15±n/a K |
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| IC50 | >10000±n/a nM |
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| Citation |  Dales, NA; Gould, AE; Brown, JA; Calderwood, EF; Guan, B; Minor, CA; Gavin, JM; Hales, P; Kaushik, VK; Stewart, M; Tummino, PJ; Vickers, CS; Ocain, TD; Patane, MA Substrate-based design of the first class of angiotensin-converting enzyme-related carboxypeptidase (ACE2) inhibitors. J Am Chem Soc124:11852-3 (2002) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Angiotensin-converting enzyme |
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| Name: | Angiotensin-converting enzyme |
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| Synonyms: | ACE | Peptidyl-dipeptidase A |
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| Type: | Enzyme |
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| Mol. Mass.: | 150545.88 |
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| Organism: | Sus scrofa (pig) |
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| Description: | A1YQ85 |
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| Residue: | 1309 |
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| Sequence: | MGAAPGRRWPWPPLLPLLLMLLLPPPPLPVALALDSALQPGNFTADEAGAEDFAQSFNSS
SEQVLFQSTAASWAHDTNITEENARRQEEAALISQEFSEVWGQKAKALYDPIWQNFTSRT
PRRIIGVVRTLGSANLPGKRQQYNSLLSNMTRIYSTARVCFPNKTATCWSLDPELTNILA
TSRSYTLLLYAWEGWHNAAGIPLKPLYQDFTALSNEAYKQDGFSDTGAYWRSLYDSPTFT
EDLERLYHQLEPLYLNLHAYVRRALHRQYGDRFINLRGPIPAHLLGNMWAQSWNNIYDMV
VPFPGKPSLDVTSAMVQKGWNVTHMFRVAEEFFTSLGLLPMPPEFWAESMLEKPSDRREV
VCHASAWDFYNRKDFRIKQCTQVTIDQLSTVHHEMGHVQYYLQYKDRHVSLRRGANPGFH
EAIGDVLALSVSTPAHLHKIGLLDHVTSDWESDINYLLKMALEKIAFLPFGYLVDQWRWG
VFSGRTPPSLYNYDWWYLRTKYQGVCPPVVRNETHFDAGAKYHVPNVTPYIRYFVSFILQ
FQFHQALCKEAGHQGPLHQCDIYQSTRAGAKLRAVLQAGFSRPWQEVLKDMVGSGALDAQ
PLLDYFQPVTQWLEEQNQRSGDILGWPEYQWRPPMPDNYPEGIDLVSDEAEASKFVEEYD
RRSQVVLNEYAEANWDYNTNITAEGSKRVLEKSTQMANHTVKYGIWARKFDVANIQNFTL
KRMIKKIQDLERAALPFKELEEYNQILLDMETAYSVASVCHANSTCLQLEPDLTNLMATS
RSYEELLWAWKGWRDKVGRAILPYFPKYVELTNKAARLNGYEDGGDAWRAAYEMPFLEQE
LEQLFQELQPLYLNLHAYVRRALHHHYGPEHINLEGPIPAHLLGNMWAQTWSNIYDLVVP
FPSASKMDASEAMINQGWTPQRMFKEADNFFTSLGLLPVPPEFWNKSMLEKPTDGREVVC
HASAWDFFNGKDFRIKQCTTVNMEDLVVAHHEMGHIQYFMQYKDLPVTFREGANPGFHEA
IGDVLVLSVSTPKHLRSINLLKSEDDGYEEDINFLMKMALDKVAFVPFSYLVDQWRWRVF
DRSITKENYNQEWWSLRLKYQGLCPPVARSQGDFDPGAKFHIPSSVPYIRYFVSFIIQFQ
FHEALCQAAGHKGPLHKCDIYQSKEAGRRLADAMKLGLSKPWPEAMQLITGQPNVSASAM
MTYFKPLLDWLVTENGRHGEKLGWPQYSWTPNSARLEGSFAGTGRVNFLGLNLEEQQARV
GQWVLLFLGVTLLVATMGLTQRLFSIRHQILRRTHRGPQFGSEVELRHS
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| BDBM21486 |
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| BDBM21490 |
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| Name | BDBM21486 |
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| Synonyms: | (2S)-2-{[(1S)-1-carboxy-2-{1-[(3-methylphenyl)methyl]-1H-imidazol-5-yl}ethyl]amino}-4-methylpentanoic acid | Amino dicarboxylate analogue, 13 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H27N3O4 |
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| Mol. Mass. | 373.4461 |
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| SMILES | CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cccc(C)c1)C(O)=O)C(O)=O |r| |
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| Structure | 
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