Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-((1E,3E,5Z)-5-(1-(6-(2-(3-((22R,28R)-1-amino-28-(((R)-2,3-bis(palmitoyloxy)propylthio)methyl)-22-(hydroxymethyl)-1,5,21,24,27,30,34,50-octaoxo-3,10,13,16,32,39,42,45-octaoxa-6,20,23,26,29,35,49-heptaazadopentacontan-52-ylthio)-2,5-dioxopyrrolidin-1-yl)ethylamino)-6-oxohexyl)-5-sulfonatoindolin-2-ylidene)penta-1,3-dienyl)-1-ethyl-3H-indolium-5-sulfonate
    Show/Hide
 PubChem ID
CID: 118719088
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](NC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)CCSC1CC(=O)N(CCNC(=O)CCCCCN2/C(=C\C=C\C=C\C3=[N+](CC)c4ccc(S(=O)(=O)[O-])cc4C3)Cc3cc(S(=O)(=O)O)ccc32)C1=O)C(=O)NCC(=O)N[C@H](CO)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O)OC(=O)CCCCCCCCCCCCCCC
    Show/Hide
Compound Formula C109H176N12O30S4
Compound Structure
Protein Name
 Protein Info 
Toll-like receptor 2
Protein Classification
Membrane receptor
>
Toll-like and Il-1 receptors
Uniprot ID
O60603
Gene Name
TLR2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 34 nM
   TI
   LI
   LO
   TS
2
Ki = 11 nM
   TI
   LI
   LO
   TS
CL000687 SU.86.86
 Cell Line Info 
Homo sapiens (Human)  1
1
Ki = 67 nM
   TI
   LI
   LO
   TS