| Reaction Details |
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 | Report a problem with these data |
| Target | Angiotensin-converting enzyme 2 |
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| Ligand | BDBM496901 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | veroE6 en ACE2 CPE assay |
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| EC50 | 85±n/a nM |
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| Citation |  Owen, DR; Allerton, CM; Anderson, AS; Aschenbrenner, L; Avery, M; Berritt, S; Boras, B; Cardin, RD; Carlo, A; Coffman, KJ; Dantonio, A; Di, L; Eng, H; Ferre, R; Gajiwala, KS; Gibson, SA; Greasley, SE; Hurst, BL; Kadar, EP; Kalgutkar, AS; Lee, JC; Lee, JS; Liu, W; Mason, SW; Noell, S; Novak, JJ; Obach, RS; Ogilvie, K; Patel, NC; Pettersson, M; Rai, DK; Reese, MR; Sammons, MF; Sathish, JG; Singh, RS; Steppan, CM; Stewart, AE; Tuttle, JB; Updyke, L; Verhoest, PR; Wei, LQ; Yang, QY; Zhu, Y An oral SARS-CoV-2 Mpro inhibitor clinical candidate for the treatment of COVID-19 Science374:1-13 (2021) |
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| More Info.: | Get all data from this article, Assay Method |
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| Angiotensin-converting enzyme 2 |
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| Name: | Angiotensin-converting enzyme 2 |
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| Synonyms: | ACE-related carboxypeptidase | ACE2 | ACE2_HUMAN | ACEH | Angiotensin-converting enzyme homolog | Angiotensin-converting enzyme-related carboxypeptidase | Metalloprotease MPROT15 |
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| Type: | Enzyme |
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| Mol. Mass.: | 92448.86 |
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| Organism: | Homo sapiens (Human) |
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| Description: | n/a |
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| Residue: | 805 |
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| Sequence: | MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQ
NMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTIL
NTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLY
EEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHL
HAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQ
AWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILM
CTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKS
IGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEM
KREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLH
KCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNK
NSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKN
QMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDN
SLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENP
YASIDISKGENNPGFQNTDDVQTSF
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| BDBM496901 |
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| n/a |
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| Name | BDBM496901 |
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| Synonyms: | science.abl4784, 5 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H34F3N5O5S |
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| Mol. Mass. | 621.671 |
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| SMILES | CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@@H]2[C@H]([C@@H]1C(=O)N[C@H](C[C@H]1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(C)C |
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| Structure | 
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