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Target
Fusion glycoprotein F0
Ligand
BDBM50554856
Substrate
n/a
Meas. Tech.
ChEMBL_2050872 (CHEMBL4705571)
EC50
0.270000±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:
BDBM50554856
Synonyms:
CHEMBL4740044
Type:
Small organic molecule
Emp. Form.:
C27H31ClN6O4
Mol. Mass.:
539.026
SMILES:
[H][C@@]12CCCCN1C(=O)c1cc(Cl)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |r,wU:34.38,wD:1.0,36.41,(13.73,-43.38,;14.51,-42.05,;15.29,-43.38,;16.82,-43.38,;17.59,-42.04,;16.81,-40.71,;15.27,-40.71,;14.49,-39.38,;12.95,-39.39,;15.26,-38.04,;16.8,-38.04,;17.56,-36.7,;19.1,-36.7,;16.78,-35.37,;15.24,-35.38,;14.48,-36.72,;12.94,-36.73,;11.74,-37.51,;11.5,-35.99,;12.71,-35.03,;10.22,-35.65,;9.47,-37.05,;10.34,-38.05,;9.27,-38.98,;7.94,-38.21,;9.27,-40.52,;7.94,-41.3,;7.94,-42.84,;9.27,-43.6,;10.61,-42.84,;12.08,-43.31,;12.98,-42.06,;12.06,-40.81,;10.6,-41.3,;6.61,-43.61,;6.21,-45.1,;4.73,-44.71,;3.39,-45.48,;5.12,-43.22,)|
Structure:
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