Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazol-3-yl)methyl N-cyclohexyl-N'-[4-[[[2-[2-[6-[[2-[2-(methylamino)-2-oxoethoxy]acetyl]amino]hexylamino]-2-oxoethoxy]acetyl]amino]methyl]cyclohexyl]carbamimidothioate
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Canonical SMILES
CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)NC[C@H]1CC[C@@H](CC1)\N=C(\NC1CCCCC1)SCC1=CSC2=NC(C)(C)CN12
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Compound Formula C37H62N8O6S2
Compound Structure
Protein Name
 Protein Info 
C-X-C chemokine receptor type 4
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Peptide receptor (family A GPCR)
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Chemokine receptor
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CXC chemokine receptor
Uniprot ID
P61073
Gene Name
CXCR4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 74000 nM
   TI
   LI
   LO
   TS
CL000149 HOS
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 78300 nM
   TI
   LI
   LO
   TS