Reaction Details |
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Target | Angiotensin-converting enzyme 2 |
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Ligand | BDBM496897 |
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Substrate/Competitor | n/a |
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Meas. Tech. | veroE6 en ACE2 CPE assay |
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EC50 | 5593±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 |
Synonyms: | ACE-related carboxypeptidase | ACE2 | ACE2_HUMAN | ACEH | Angiotensin-converting enzyme homolog | Angiotensin-converting enzyme-related carboxypeptidase | Metalloprotease MPROT15 |
Type: | Enzyme |
Mol. Mass.: | 92448.86 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 805 |
Sequence: | MSSSSWLLLSLVAVTAAQSTIEEQAKTFLDKFNHEAEDLFYQSSLASWNYNTNITEENVQ
NMNNAGDKWSAFLKEQSTLAQMYPLQEIQNLTVKLQLQALQQNGSSVLSEDKSKRLNTIL
NTMSTIYSTGKVCNPDNPQECLLLEPGLNEIMANSLDYNERLWAWESWRSEVGKQLRPLY
EEYVVLKNEMARANHYEDYGDYWRGDYEVNGVDGYDYSRGQLIEDVEHTFEEIKPLYEHL
HAYVRAKLMNAYPSYISPIGCLPAHLLGDMWGRFWTNLYSLTVPFGQKPNIDVTDAMVDQ
AWDAQRIFKEAEKFFVSVGLPNMTQGFWENSMLTDPGNVQKAVCHPTAWDLGKGDFRILM
CTKVTMDDFLTAHHEMGHIQYDMAYAAQPFLLRNGANEGFHEAVGEIMSLSAATPKHLKS
IGLLSPDFQEDNETEINFLLKQALTIVGTLPFTYMLEKWRWMVFKGEIPKDQWMKKWWEM
KREIVGVVEPVPHDETYCDPASLFHVSNDYSFIRYYTRTLYQFQFQEALCQAAKHEGPLH
KCDISNSTEAGQKLFNMLRLGKSEPWTLALENVVGAKNMNVRPLLNYFEPLFTWLKDQNK
NSFVGWSTDWSPYADQSIKVRISLKSALGDKAYEWNDNEMYLFRSSVAYAMRQYFLKVKN
QMILFGEEDVRVANLKPRISFNFFVTAPKNVSDIIPRTEVEKAIRMSRSRINDAFRLNDN
SLEFLGIQPTLGPPNQPPVSIWLIVFGVVMGVIVVGIVILIFTGIRDRKKKNKARSGENP
YASIDISKGENNPGFQNTDDVQTSF
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BDBM496897 |
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n/a |
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Name | BDBM496897 |
Synonyms: | science.abl4784, 3 |
Type | Small organic molecule |
Emp. Form. | C32H33N5O5S |
Mol. Mass. | 599.7 |
SMILES | COc1cccc2[nH]c(cc12)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 |
Structure |
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