Brief Information of the Compound and Protein
Compound Name
(3R,4R,5S)-5-amino-4-acetamido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
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PubChem ID
CID: 44310478
SID: 14848889
Canonical SMILES
CCC(CC)O[C@@H]1C=C(C[C@H](N)[C@H]1NC(C)=O)C(O)=O
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Compound Formula C14H24N2O4
Compound Structure
Protein Name
Neuraminidase
Protein Classification
Enzyme
>
Hydrolase
Uniprot ID
B4URF0
Gene Name
.
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  8
1
IC50 = 0.4 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.6 nM
   TI
   LI
   LO
   TS
3
IC50 = 0.9 nM
   TI
   LI
   LO
   TS
4
IC50 = 1 nM
   TI
   LI
   LO
   TS
5
IC50 = 26 nM
   TI
   LI
   LO
   TS
6
IC50 = 49 nM
   TI
   LI
   LO
   TS
7
IC50 = 4371 nM
   TI
   LI
   LO
   TS
8
IC50 > 83000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.1 nM
2 IC50 = 0.12 nM
3 IC50 = 0.14 nM
4 IC50 = 0.15 nM
5 IC50 = 0.17 nM
6 IC50 = 0.18 nM
7 IC50 = 0.44 nM
8 IC50 = 1 nM
9 IC50 = 2.1 nM
10 IC50 = 2.8 nM
11 IC50 = 2.9 nM
12 IC50 = 3.1 nM
13 IC50 = 3.2 nM
14 IC50 = 3.3 nM
15 IC50 = 4.17 nM
16 IC50 = 4.45 nM
17 IC50 = 5.4 nM
18 IC50 = 7.14 nM
19 IC50 = 7.77 nM
20 IC50 = 8.42 nM
21 IC50 = 14.5 nM
22 IC50 = 15 nM
23 IC50 = 15.72 nM
24 IC50 = 21 nM
25 IC50 = 23 nM
26 IC50 = 33.56 nM
27 IC50 = 36.1 nM
28 IC50 = 53.2 nM
29 IC50 = 210 nM
30 IC50 = 217 nM
31 IC50 = 235 nM
32 IC50 = 250 nM
33 IC50 = 330 nM
34 IC50 = 370 nM
35 IC50 = 817.43 nM
36 IC50 = 1160 nM
37 IC50 = 3840 nM
38 IC50 = 5050 nM
39 IC50 > 100 nM