| Reaction Details |
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 | Report a problem with these data |
| Target | Angiotensin-converting enzyme |
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| Ligand | BDBM50559551 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2069786 (CHEMBL4725039) |
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| Ki | >57000±n/a nM |
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| Citation |  Leiris, S; Davies, DT; Sprynski, N; Castandet, J; Beyria, L; Bodnarchuk, MS; Sutton, JM; Mullins, TMG; Jones, MW; Forrest, AK; Pallin, TD; Karunakar, P; Martha, SK; Parusharamulu, B; Ramula, R; Kotha, V; Pottabathini, N; Pothukanuri, S; Lemonnier, M; Everett, M Virtual Screening Approach to Identifying a Novel and Tractable Series of ACS Med Chem Lett12:217-227 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Angiotensin-converting enzyme |
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| Name: | Angiotensin-converting enzyme |
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| 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 |
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| Type: | n/a |
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| Mol. Mass.: | 150405.15 |
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| Organism: | Oryctolagus cuniculus |
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| Description: | n/a |
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| Residue: | 1310 |
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| Sequence: | MGAAPGRRGPRLLRPPPPLLLLLLLLRPPPAALTLDPGLLPGDFAADEAGARLFASSYNS
SAEQVLFRSTAASWAHDTNITAENARRQEEEALLSQEFAEAWGKKAKELYDPVWQNFTDP
ELRRIIGAVRTLGPANLPLAKRQQYNSLLSNMSQIYSTGKVCFPNKTASCWSLDPDLNNI
LASSRSYAMLLFAWEGWHNAVGIPLKPLYQEFTALSNEAYRQDGFSDTGAYWRSWYDSPT
FEEDLERIYHQLEPLYLNLHAYVRRVLHRRYGDRYINLRGPIPAHLLGNMWAQSWESIYD
MVVPFPDKPNLDVTSTMVQKGWNATHMFRVAEEFFTSLGLLPMPPEFWAESMLEKPEDGR
EVVCHASAWDFYNRKDFRIKQCTQVTMDQLSTVHHEMGHVQYYLQYKDQPVSLRRANPGF
HEAIGDVLALSVSTPAHLHKIGLLDHVTNDTESDINYLLKMALEKIAFLPFGYLVDQWRW
GVFSGRTPSSRYNFDWWYLRTKYQGICPPVVRNETHFDAGAKFHIPSVTPYIRYFVSFVL
QFQFHQALCMEAGHQGPLHQCDIYQSTRAGAKLRAVLQAGCSRPWQEVLKDMVASDALDA
QPLLDYFQPVTQWLQEQNERNGEVLGWPEYQWRPPLPNNYPEGIDLVTDEAEASRFVEEY
DRSFQAVWNEYAEANWNYNTNITTEASKILLQKNMQIANHTLTYGNWARRFDVSNFQNAT
SKRIIKKVQDLQRAVLPVKELEEYNQILLDMETIYSVANVCRVDGSCLQLEPDLTNLMAT
SRKYDELLWVWTSWRDKVGRAILPYFPKYVEFTNKAARLNGYVDAGDSWRSMYETPTLEQ
DLERLFQELQPLYLNLHAYVGRALHRHYGAQHINLEGPIPAHLLGNMWAQTWSNIYDLVA
PFPSASTMDATEAMIKQGWTPRRMFEEADKFFISLGLLPVPPEFWNKSMLEKPTDGREVV
CHASAWDFYNGKDFRIKQCTTVNMEDLVVVHHEMGHIQYFMQYKDLPVALREGANPGFHE
AIGDVLALSVSTPKHLHSINLLSSEGGGYEHDINFLMKMALDKIAFIPFSYLVDEWRWRV
FDGSITKENYNQEWWSLRLKYQGLCPPAPRSQGDFDPGAKFHIPSSVPYIRYFVSFIIQF
QFHEALCKAAGHTGPLHTCDIYQSKEAGKRLADAMKLGYSKPWPEAMKVITGQPNMSASA
MMNYFKPLMDWLLTENGRHGEKLGWPQYTWTPNSARSEGSLPDSGRVNFLGMNLDAQQAR
VGQWVLLFLGVALLLASLGLTQRLFSIRYQSLRQPHHGPQFGSEVELRHS
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| BDBM50559551 |
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| n/a |
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| Name | BDBM50559551 |
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| Synonyms: | CHEMBL4758612 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H20N2O3S |
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| Mol. Mass. | 392.471 |
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| SMILES | OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1nc(cs1)-c1ccccc1 |
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| Structure | 
|
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