| Reaction Details |
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 | Report a problem with these data |
| Target | Spike glycoprotein |
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| Ligand | BDBM50567449 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2103343 (CHEMBL4811846) |
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| IC50 | 5680±n/a nM |
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| Citation |  Li, H; Cheng, C; Li, S; Wu, Y; Liu, Z; Liu, M; Chen, J; Zhong, Q; Zhang, X; Liu, S; Song, G Discovery and structural optimization of 3-O-?-chacotriosyl oleanane-type triterpenoids as potent entry inhibitors of SARS-CoV-2 virus infections. Eur J Med Chem215:0 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Spike glycoprotein |
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| Name: | Spike glycoprotein |
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| Synonyms: | E2 | Peplomer protein | S | S glycoprotein | SPIKE_SARS |
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| Type: | Protein |
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| Mol. Mass.: | 139114.99 |
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| Organism: | SARS-CoV |
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| Description: | P59594 |
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| Residue: | 1255 |
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| Sequence: | MFIFLLFLTLTSGSDLDRCTTFDDVQAPNYTQHTSSMRGVYYPDEIFRSDTLYLTQDLFL
PFYSNVTGFHTINHTFGNPVIPFKDGIYFAATEKSNVVRGWVFGSTMNNKSQSVIIINNS
TNVVIRACNFELCDNPFFAVSKPMGTQTHTMIFDNAFNCTFEYISDAFSLDVSEKSGNFK
HLREFVFKNKDGFLYVYKGYQPIDVVRDLPSGFNTLKPIFKLPLGINITNFRAILTAFSP
AQDIWGTSAAAYFVGYLKPTTFMLKYDENGTITDAVDCSQNPLAELKCSVKSFEIDKGIY
QTSNFRVVPSGDVVRFPNITNLCPFGEVFNATKFPSVYAWERKKISNCVADYSVLYNSTF
FSTFKCYGVSATKLNDLCFSNVYADSFVVKGDDVRQIAPGQTGVIADYNYKLPDDFMGCV
LAWNTRNIDATSTGNYNYKYRYLRHGKLRPFERDISNVPFSPDGKPCTPPALNCYWPLND
YGFYTTTGIGYQPYRVVVLSFELLNAPATVCGPKLSTDLIKNQCVNFNFNGLTGTGVLTP
SSKRFQPFQQFGRDVSDFTDSVRDPKTSEILDISPCSFGGVSVITPGTNASSEVAVLYQD
VNCTDVSTAIHADQLTPAWRIYSTGNNVFQTQAGCLIGAEHVDTSYECDIPIGAGICASY
HTVSLLRSTSQKSIVAYTMSLGADSSIAYSNNTIAIPTNFSISITTEVMPVSMAKTSVDC
NMYICGDSTECANLLLQYGSFCTQLNRALSGIAAEQDRNTREVFAQVKQMYKTPTLKYFG
GFNFSQILPDPLKPTKRSFIEDLLFNKVTLADAGFMKQYGECLGDINARDLICAQKFNGL
TVLPPLLTDDMIAAYTAALVSGTATAGWTFGAGAALQIPFAMQMAYRFNGIGVTQNVLYE
NQKQIANQFNKAISQIQESLTTTSTALGKLQDVVNQNAQALNTLVKQLSSNFGAISSVLN
DILSRLDKVEAEVQIDRLITGRLQSLQTYVTQQLIRAAEIRASANLAATKMSECVLGQSK
RVDFCGKGYHLMSFPQAAPHGVVFLHVTYVPSQERNFTTAPAICHEGKAYFPREGVFVFN
GTSWFITQRNFFSPQIITTDNTFVSGNCDVVIGIINNTVYDPLQPELDSFKEELDKYFKN
HTSPDVDLGDISGINASVVNIQKEIDRLNEVAKNLNESLIDLQELGKYEQYIKWPWYVWL
GFIAGLIAIVMVTILLCCMTSCCSCLKGACSCGSCCKFDEDDSEPVLKGVKLHYT
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| BDBM50567449 |
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| n/a |
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| Name | BDBM50567449 |
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| Synonyms: | CHEMBL4874301 |
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| Type | Small organic molecule |
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| Emp. Form. | C55H84FNO15 |
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| Mol. Mass. | 1018.2516 |
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| SMILES | [H][C@@]1(O[C@H]2[C@H](O)[C@@H](O[C@]3([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@]([H])(O[C@H]3CC[C@@]4(C)[C@@]([H])(CC[C@]5(C)[C@]4([H])CC=C4[C@]6([H])CC(C)(C)CC[C@@]6(CC[C@@]54C)C(=O)NCc4ccccc4F)C3(C)C)O[C@@H]2CO)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r,t:38| |
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| Structure | 
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