Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50233075
Substrate
n/a
Meas. Tech.
ChEMBL_41907 (CHEMBL655698)
Ki
79±n/a nM
Citation
 Witherington, J; Bordas, V; Cooper, DG; Forbes, IT; Gribble, AD; Ife, RJ; Berkhout, T; Gohil, J; Groot, PH Conformationally restricted indolopiperidine derivatives as potent CCR2B receptor antagonists. Bioorg Med Chem Lett 11:2177-80 (2001) [PubMed]  Article 
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:
BDBM50233075
Synonyms:
3-(3,4-dichlorophenyl)-N-((1s,4s)-4-((4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl)methyl)cyclohexyl)acrylamide | CHEMBL400698
Type:
Small organic molecule
Emp. Form.:
C29H33Cl2N3O2
Mol. Mass.:
526.497
SMILES:
Oc1ccc2[nH]cc(C3CCN(C[C@H]4CC[C@H](CC4)NC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1 |wU:13.12,16.19,(-.39,-.49,;.95,-1.26,;.94,-2.8,;2.28,-3.57,;3.62,-2.8,;5.1,-3.27,;6,-2.01,;5.08,-.77,;5.54,.7,;7.05,1.02,;7.52,2.48,;6.49,3.62,;6.96,5.09,;8.46,5.41,;8.93,6.87,;10.44,7.19,;11.47,6.04,;10.99,4.58,;9.49,4.26,;12.98,6.36,;14.01,5.22,;15.51,5.53,;13.53,3.75,;14.56,2.61,;14.08,1.14,;12.57,.83,;12.09,-.63,;13.12,-1.78,;12.64,-3.25,;14.63,-1.46,;15.67,-2.6,;15.1,0,;4.98,3.3,;4.51,1.83,;3.61,-1.25,;2.27,-.49,)|
Structure:
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