Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50233073
Substrate
n/a
Meas. Tech.
ChEBML_41908
Ki
126±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:
BDBM50233073
Synonyms:
CHEMBL399472 | N-((1s,4s)-4-((4-(1H-indol-3-yl)piperidin-1-yl)methyl)cyclohexyl)-3-(3,4-dichlorophenyl)acrylamide
Type:
Small organic molecule
Emp. Form.:
C29H33Cl2N3O
Mol. Mass.:
510.498
SMILES:
Clc1ccc(\C=C\C(=O)N[C@@H]2CC[C@H](CN3CCC(CC3)c3c[nH]c4ccccc34)CC2)cc1Cl |wU:13.13,10.9,(-3.35,-3.97,;-2.87,-2.51,;-3.9,-1.36,;-3.42,.1,;-1.91,.41,;-1.44,1.87,;-2.46,3.02,;-1.99,4.48,;-.48,4.8,;-3.01,5.63,;-4.52,5.31,;-5.55,6.46,;-7.06,6.14,;-7.53,4.68,;-9.03,4.36,;-9.5,2.89,;-8.47,1.75,;-8.94,.29,;-10.45,-.04,;-11.49,1.1,;-11.01,2.57,;-10.91,-1.5,;-9.99,-2.74,;-10.89,-4,;-12.38,-3.53,;-13.72,-4.3,;-15.05,-3.53,;-15.05,-1.99,;-13.72,-1.22,;-12.38,-1.98,;-6.5,3.53,;-5,3.85,;-.89,-.73,;-1.36,-2.19,;-.33,-3.33,)|
Structure:
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