Reaction Details |
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Target | Angiotensin-converting enzyme |
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Ligand | BDBM50559566 |
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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 |
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: | 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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BDBM50559566 |
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n/a |
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Name | BDBM50559566 |
Synonyms: | CHEMBL4749721 |
Type | Small organic molecule |
Emp. Form. | C21H19NO3S |
Mol. Mass. | 365.445 |
SMILES | OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc1cc2ccccc2s1 |
Structure |
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