Reaction Details |
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Target | Angiotensin-converting enzyme |
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Ligand | BDBM21489 |
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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 | >100000±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 |
Synonyms: | ACE | Peptidyl-dipeptidase A |
Type: | Enzyme |
Mol. Mass.: | 150545.88 |
Organism: | Sus scrofa (pig) |
Description: | A1YQ85 |
Residue: | 1309 |
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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BDBM21489 |
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BDBM21490 |
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Name | BDBM21489 |
Synonyms: | (2S)-2-{[(1S)-1-carboxy-2-{1-[(3,5-dichlorophenyl)methyl]-1H-imidazol-5-yl}ethyl]amino}-4-methylpentanoic acid | 2-(1-carboxy-2-(3-(3,5-dichlorobenzyl)-3H-imidazol-4-yl)ethylamino)-4-methylpentanoic acid | CHEMBL429844 | MLN 4760 | MLN-4760 | MLN4760 |
Type | Small organic molecule |
Emp. Form. | C19H23Cl2N3O4 |
Mol. Mass. | 428.31 |
SMILES | CC(C)C[C@H](N[C@@H](Cc1cncn1Cc1cc(Cl)cc(Cl)c1)C(O)=O)C(O)=O |r| |
Structure |
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