Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50233071
Substrate
n/a
Meas. Tech.
ChEMBL_41913 (CHEMBL655704)
Ki
316±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:
BDBM50233071
Synonyms:
3-(3,4-dichlorophenyl)-N-((1r,4r)-4-((4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl)methyl)cyclohexyl)acrylamide | CHEMBL253424
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,wD:16.19,(-18.39,-14.3,;-17.07,-15.07,;-17.07,-16.62,;-15.74,-17.39,;-14.39,-16.62,;-12.92,-17.09,;-12.02,-15.83,;-12.93,-14.58,;-12.48,-13.12,;-10.96,-12.79,;-10.49,-11.33,;-11.52,-10.19,;-11.05,-8.73,;-9.54,-8.4,;-9.08,-6.94,;-7.57,-6.63,;-6.53,-7.77,;-7.01,-9.23,;-8.51,-9.55,;-5.03,-7.45,;-4,-8.6,;-2.49,-8.28,;-4.48,-10.06,;-3.45,-11.21,;-3.93,-12.67,;-5.44,-12.99,;-5.92,-14.45,;-4.89,-15.6,;-5.36,-17.06,;-3.37,-15.27,;-2.34,-16.41,;-2.9,-13.81,;-13.03,-10.52,;-13.51,-11.99,;-14.4,-15.07,;-15.74,-14.3,)|
Structure:
Search PDB for entries with ligand similarity: