Brief Information of the Compound and Protein
Compound Name
(E)-but-2-enedioic acid;1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-phenylphenyl)methyl]methanamine
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PubChem ID
CID: 155513527
Canonical SMILES
OC(=O)\C=C\C(O)=O.Clc1ccccc1CN1CCC(CNCc2cccc(c2)-c2ccccc2)CC1
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Compound Formula C30H33ClN2O4
Compound Structure
Protein Name
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
CL000025 HEK-293T Homo sapiens (Human)  4
1
IC50 = 501.19 nM
   TI
   LI
   LO
   TS
2
IC50 = 630.96 nM
   TI
   LI
   LO
   TS
3
IC50 = 1258.93 nM
   TI
   LI
   LO
   TS
4
IC50 = 2511.89 nM
   TI
   LI
   LO
   TS