Brief Information of the Compound and Protein
Compound Name
1',1'',1''',1'''',1''''',1'''''',1''''''',1'''''''',1''''''''',1'''''''''',1''''''''''',1''''''''''''-(5,5',5'',5''',5'''',5'''''-(1',1'',1''',1'''',1''''',1''''''-(5,5',5''-(1',1'',1'''-(benzene-1,3,5-triyltris(methylene))tris(4',4''-bipyridine-1,1'-diium-1',1'-diyl))tris(methylene)tris(benzene-5,3,1-triyl))hexakis(methylene)hexakis(4'',4'''-bipyridine-1,1'-diium-1'',1'-diyl))hexakis(methylene)hexakis(benzene-5,3,1-triyl))dodecakis(methylene)dodecakis(1-(3-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)propyl)-4'''''''',4'''''''''-bipyridine-1,1'-diium)hexafluorophosphate (V)
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Canonical SMILES
Cc1cn(CCC[n+]2ccc(-c3cc[n+](Cc4cc(C[n+]5ccc(-c6cc[n+](CCCn7cc(C)c(=O)[nH]c7=O)cc6)cc5)cc(C[n+]5ccc(-c6cc[n+](Cc7cc(C[n+]8ccc(-c9cc[n+](Cc%10cc(C[n+]%11ccc(-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc%11)cc(C[n+]%11ccc(-c%12cc[n+](CCCn%13cc(C)c(=O)[nH]c%13=O)cc%12)cc%11)c%10)cc9)cc8)cc(C[n+]8ccc(-c9cc[n+](Cc%10cc(C[n+]%11ccc(-c%12cc[n+](Cc%13cc(C[n+]%14ccc(-c%15cc[n+](Cc%16cc(C[n+]%17ccc(-c%18cc[n+](CCCn%19cc(C)c(=O)[nH]c%19=O)cc%18)cc%17)cc(C[n+]%17ccc(-c%18cc[n+](CCCn%19cc(C)c(=O)[nH]c%19=O)cc%18)cc%17)c%16)cc%15)cc%14)cc(C[n+]%14ccc(-c%15cc[n+](Cc%16cc(C[n+]%17ccc(-c%18cc[n+](CCCn%19cc(C)c(=O)[nH]c%19=O)cc%18)cc%17)cc(C[n+]%17ccc(-c%18cc[n+](CCCn%19cc(C)c(=O)[nH]c%19=O)cc%18)cc%17)c%16)cc%15)cc%14)c%13)cc%12)cc%11)cc(C[n+]%11ccc(-c%12cc[n+](Cc%13cc(C[n+]%14ccc(-c%15cc[n+](Cc%16cc(C[n+]%17ccc(-c%18cc[n+](CCCn%19cc(C)c(=O)[nH]c%19=O)cc%18)cc%17)cc(C[n+]%17ccc(-c%18cc[n+](CCCn%19cc(C)c(=O)[nH]c%19=O)cc%18)cc%17)c%16)cc%15)cc%14)cc(C[n+]%14ccc(-c%15cc[n+](Cc%16cc(C[n+]%17ccc(-c%18cc[n+](CCCn%19cc(C)c(=O)[nH]c%19=O)cc%18)cc%17)cc(C[n+]%17ccc(-c%18cc[n+](CCCn%19cc(C)c(=O)[nH]c%19=O)cc%18)cc%17)c%16)cc%15)cc%14)c%13)cc%12)cc%11)c%10)cc9)cc8)c7)cc6)cc5)c4)cc3)cc2)c(=O)[nH]c1=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
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Compound Formula C396H390F252N66O24P42
Compound Structure
Protein Name
C-X-C chemokine receptor type 5
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Peptide receptor (family A GPCR)
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Chemokine receptor
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CXC chemokine receptor
Uniprot ID
P32302
Gene Name
CXCR5
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000739 U87.CD4.CCR5 Homo sapiens (Human)  1
1
IC50 = 1749.51699 nM
   TI
   LI
   LO
   TS