Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM141922
Substrate
n/a
Meas. Tech.
Binding Assay
Temperature
310.15±n/a K
IC50
120±n/a nM
Comments
extracted
Citation
 Lanter, JC; Markotan, TP; Subasinghe, N; Sui, Z; Zhang, X 4-substituted-cyclohexylamino-4-piperidinyl-acetamide antagonists of CCR2 US Patent  US8921559 Publication Date 12/30/2014 
Target
Name:
C-C chemokine receptor type 2
Synonyms:
C-C chemokine receptor type 2 (CCR2) | CCR2 | CCR2_HUMAN | CMKBR2 | Chemoattractant Cytokine Receptor 2 (CCR2) | Chemokine Receptor Type 2b (CCR2b) | Monocyte chemotactic protein-1 (MCP-1)
Type:
Enzyme
Mol. Mass.:
41932.32
Organism:
Homo sapiens (Human)
Description:
P41597
Residue:
374
Sequence:
MLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGNMLVVLILINCKKLKCLTDIYLLNLAISDLLFLITLPLWAHSAANEWVFGNAMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIFTKCQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNEKKRHRAVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCINPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSIGRAPEASLQDKEGA
  
Inhibitor
Name:
BDBM141922
Synonyms:
US8921559, 12
Type:
Small organic molecule
Emp. Form.:
C33H40N4O2
Mol. Mass.:
524.6963
SMILES:
NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc2CCCc2c1 |(-1.33,1.19,;-2.67,.42,;-4,1.19,;-2.67,-1.12,;-4,-1.89,;-5.33,-1.12,;-6.67,-1.89,;-8,-1.12,;-8,.42,;-6.67,1.19,;-5.33,.42,;-9.34,1.19,;-10.8,.71,;-11.71,1.96,;-10.8,3.2,;-11.12,4.71,;-9.98,5.74,;-8.51,5.27,;-8.19,3.76,;-9.34,2.73,;-1.33,-1.89,;-1.33,-3.43,;,-4.2,;1.33,-3.43,;1.33,-1.89,;,-1.12,;2.67,-4.2,;2.67,-5.74,;4,-3.43,;5.33,-4.2,;6.67,-3.43,;6.67,-1.89,;8,-1.12,;9.34,-1.89,;10.8,-1.42,;11.71,-2.66,;10.8,-3.91,;9.34,-3.43,;8,-4.2,)|
Structure:
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