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Target
Fusion glycoprotein F0
Ligand
BDBM50554875
Substrate
n/a
Meas. Tech.
ChEMBL_2050872 (CHEMBL4705571)
EC50
0.770000±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:
BDBM50554875
Synonyms:
CHEMBL4765002
Type:
Small organic molecule
Emp. Form.:
C28H34N6O4
Mol. Mass.:
518.6074
SMILES:
[H][C@@]12CCCCN1C(=O)c1cc(C)ccc1OCC(=O)NCCN(C)c1cc(nc3cc2nn13)[C@H]1C[C@H](O)C1 |r,wU:34.38,wD:1.0,36.41,(80.59,-8.73,;81.38,-7.41,;82.15,-8.74,;83.69,-8.73,;84.46,-7.4,;83.68,-6.07,;82.14,-6.07,;81.36,-4.74,;79.82,-4.75,;82.12,-3.4,;83.66,-3.4,;84.43,-2.06,;85.97,-2.06,;83.65,-.73,;82.1,-.74,;81.35,-2.08,;79.81,-2.09,;78.6,-2.87,;78.37,-1.35,;79.52,-.33,;77.09,-1,;76.34,-2.4,;77.2,-3.4,;76.14,-4.34,;74.8,-3.57,;76.14,-5.88,;74.81,-6.66,;74.81,-8.2,;76.14,-8.96,;77.47,-8.2,;78.94,-8.67,;79.84,-7.42,;78.93,-6.17,;77.46,-6.66,;73.48,-8.97,;73.08,-10.46,;71.59,-10.06,;70.26,-10.84,;71.99,-8.58,)|
Structure:
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