Reaction Details Report a problem with these data
Target
Fusion glycoprotein F0
Ligand
BDBM50572444
Substrate
n/a
Meas. Tech.
ChEMBL_2116840 (CHEMBL4825906)
IC50
0.500000±n/a nM
Citation
 Cockerill, GS; Angell, RM; Bedernjak, A; Chuckowree, I; Fraser, I; Gascon-Simorte, J; Gilman, MSA; Good, JAD; Harland, R; Johnson, SM; Ludes-Meyers, JH; Littler, E; Lumley, J; Lunn, G; Mathews, N; McLellan, JS; Paradowski, M; Peeples, ME; Scott, C; Tait, D; Taylor, G; Thom, M; Thomas, E; Villalonga Barber, C; Ward, SE; Watterson, D; Williams, G; Young, P; Powell, K Discovery of Sisunatovir (RV521), an Inhibitor of Respiratory Syncytial Virus Fusion. J Med Chem 64:3658-3676 (2021) [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:
BDBM50572444
Synonyms:
CHEMBL4878302
Type:
Small organic molecule
Emp. Form.:
C24H27FN4O
Mol. Mass.:
406.4958
SMILES:
CC(C)CCn1c(CN2C(=O)C3(CC3)c3ccc(F)cc23)nc2cc(CN)ccc12
Structure:
Search PDB for entries with ligand similarity: