Brief Information of the Compound and Protein
Compound Name
N-(2-((3S,4S)-1-(4-(benzo[d][1,3]dioxol-5-yl)-4-hydroxycyclohexyl)-4-ethoxypyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
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PubChem ID
CID: 10008367
SID: 14988233
Canonical SMILES
CCO[C@H]1CN(C2CCC(O)(c3ccc4c(c3)OCO4)CC2)C[C@@H]1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1
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Compound Formula C29H34F3N3O6
Compound Structure
Protein Name
C-C motif chemokine 2
Protein Classification
Membrane receptor
>
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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CC chemokine receptor
Uniprot ID
P13500
Gene Name
CCL2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000043 U2OS Homo sapiens (Human)  4
1
Kd = 0.23 nM
   TI
   LI
   LO
   TS
2
Kd = 0.72 nM
   TI
   LI
   LO
   TS
3
Kd = 0.9 nM
   TI
   LI
   LO
   TS
4
Kd = 1.2 nM
   TI
   LI
   LO
   TS