Reaction Details Report a problem with these data
Target
Fusion glycoprotein F0
Ligand
BDBM50554865
Substrate
n/a
Meas. Tech.
ChEMBL_2050872 (CHEMBL4705571)
EC50
4.6±n/a nM
Citation
 Yamaguchi-Sasaki, T; Kawaguchi, T; Okada, A; Tokura, S; Tanaka-Yamamoto, N; Takeuchi, T; Ogata, Y; Takahashi, R; Kurimoto-Tsuruta, R; Tamaoki, T; Sugaya, Y; Abe-Kumasaka, T; Arikawa, K; Yoshida, I; Sugiyama, H; Kanuma, K; Yoshinaga, M Discovery of a potent dual inhibitor of wild-type and mutant respiratory syncytial virus fusion proteins through the modulation of atropisomer interconversion properties. Bioorg Med Chem 28:0 (2020) [PubMed]  Article 
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:
BDBM50554865
Synonyms:
CHEMBL4761881
Type:
Small organic molecule
Emp. Form.:
C26H31FN6O4S
Mol. Mass.:
542.626
SMILES:
[H][C@@]12CCCCN1C(=O)c1cc(F)ccc1OCCS(=O)(=O)CCN(C)c1cc(nc3cc2nn13)N1CCC1 |r|
Structure:
Search PDB for entries with ligand similarity: