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Target
Hemagglutinin-neuraminidase
Ligand
BDBM50341451
Substrate
n/a
Meas. Tech.
ChEMBL_741750 (CHEMBL1769849)
IC50
7700000±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:
BDBM50341451
Synonyms:
5-Acetamido-2,6-anhydro-3,5-dideoxy-4-O-[3-(isopropylamino)-3-(tosylimino)-propoxy]-D-glycero-D-galacto-non-2-enonic acid | CHEMBL1767330
Type:
Small organic molecule
Emp. Form.:
C24H35N3O10S
Mol. Mass.:
557.614
SMILES:
CC(C)N=C(CCO[C@H]1C=C(O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O)C(O)=O)NS(=O)(=O)c1ccc(C)cc1 |r,w:3.2,c:9|
Structure:
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