Reaction Details Report a problem with these data
Target
Fusion glycoprotein F0
Ligand
BDBM534228
Substrate
n/a
Meas. Tech.
SARS-CoV-2 antiviral assay
EC50
40±n/a nM
Citation
 E., LS; William, MJ; A., MP; P., ST; Peiyuan, W PHOSPHOLIPID COMPOUNDS AND USES THEREOF WIPO 0:0 (2022) [PubMed] 
Target
Name:
Fusion glycoprotein F0
Synonyms:
F | FUS_HRSVA | Fusion glycoprotein F0 | Fusion glycoprotein F1 | Fusion glycoprotein F2 | Intervening segment | Pep27 | Peptide 27 | p27
Type:
PROTEIN
Mol. Mass.:
63471.29
Organism:
Human respiratory syncytial virus A (strain A2)
Description:
ChEMBL_116942
Residue:
574
Sequence:
MELLILKANAITTILTAVTFCFASGQNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKENKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPPTNNRARRELPRFMNYTLNNAKKTNVTLSKKRKRRFLGFLLGVGSAIASGVAVSKVLHLEGEVNKIKSALLSTNKAVVSLSNGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSISNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVQIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPSEINLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGMDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAFIRKSDELLHNVNAGKSTTNIMITTIIIVIIVILLSLIAVGLLLYCKARSTPVTLSKDQLSGINNIAFSN
  
Inhibitor
Name:
BDBM534228
Synonyms:
((2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofuran-2-yl)methyl ((R)-2-((3-fluoro-5-(methylsulfonyl)benzyl)oxy)-3-(octadecyloxy)propyl) hydrogen phosphate (32) | WO2022081973, Example 32
Type:
Small organic molecule
Emp. Form.:
C39H59FN5O11PS
Mol. Mass.:
855.95
SMILES:
CCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)OC[C@H]1O[C@](C#N)([C@H](O)[C@@H]1O)c1ccc2c(N)ncnn12)OCc1cc(F)cc(c1)S(C)(=O)=O |r|
Structure:
Search PDB for entries with ligand similarity: