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Target
Hemagglutinin-neuraminidase
Ligand
BDBM50341459
Substrate
n/a
Meas. Tech.
ChEMBL_741750 (CHEMBL1769849)
IC50
1600000±n/a nM
Citation
 Nishino, R; Ikeda, K; Hayakawa, T; Takahashi, T; Suzuki, T; Sato, M Syntheses of 2-deoxy-2,3-didehydro-N-acetylneuraminic acid analogues modified by N-sulfonylamidino groups at the C-4 position and biological evaluation as inhibitors of human parainfluenza virus type 1. Bioorg Med Chem 19:2418-27 (2011) [PubMed]  Article 
Target
Name:
Hemagglutinin-neuraminidase
Synonyms:
n/a
Type:
PROTEIN
Mol. Mass.:
64031.12
Organism:
Human parainfluenza virus 1
Description:
ChEMBL_741750
Residue:
575
Sequence:
MAEKGKTNSSYWSTTRNDNSTVNTYIDTPAGKTHIWLLIATTMHTILSFIIMILCIDLIIKQDTCMKTNIITISSMNESAKTIKETITELIRQEVISRTINIQSSVQSGIPILLNKQSRDLTQLIEKSCNRQELAQICENTNAIHHADGISPLDPHDFWRCPVGEPLLSDNPNISLLPGPSLLSGSTTISGCVRLPSLSIGDAIYAYSSNLITQGCADIGKSYQVLQLGYISLNSDMYPDLNPVISHTYDINDNRKSCSVIAAGTRGYQLCSLPTVNETTDYSSEGIEDLVFDILDLKGKTKSHRYKNEDITFDHPFSAMYPSVGSGIKIENTLIFLGYGGLTTPLQGDTKCVTNRCANVNQSVCNDALKITWRLKKRQVNVLIRINNYLSDRPKIVVETIPITQNYLGAEGRLLKLGKKIYIYTRSSGWHSHLQIGSLDINNPMTIKWAPHEVLSRPGNQDCNWYNRCPRECISGVYTDAYPLSPDAVNVATTTLYANTSRVNPTIMYSNTSEIINMLRLKNVQLEAAYTTTSCITHFGKGYCFHIVEINQTSLNTLQPMLFKTSIPKICKITS
  
Inhibitor
Name:
BDBM50341459
Synonyms:
(2R,3R,4S)-3-acetamido-4-(N'-(methylsulfonyl)-2-(4-propylphenyl)acetimidamido)-2-((1R,2R)-1,2,3-trihydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxylic acid | CHEMBL1767333
Type:
Small organic molecule
Emp. Form.:
C23H33N3O9S
Mol. Mass.:
527.588
SMILES:
CCCc1ccc(CC(NS(C)(=O)=O)=N[C@H]2C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)C(O)=O)cc1 |r,w:8.8,c:16|
Structure:
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