Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50353203
Substrate
n/a
Meas. Tech.
ChEMBL_768742 (CHEMBL1831615)
IC50
44±n/a nM
Citation
 Zhang, X; Hufnagel, H; Markotan, T; Lanter, J; Cai, C; Hou, C; Singer, M; Opas, E; McKenney, S; Crysler, C; Johnson, D; Sui, Z Overcoming hERG activity in the discovery of a series of 4-azetidinyl-1-aryl-cyclohexanes as CCR2 antagonists. Bioorg Med Chem Lett 21:5577-82 (2011) [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:
BDBM50353203
Synonyms:
CHEMBL1829622
Type:
Small organic molecule
Emp. Form.:
C23H26F3N5O2
Mol. Mass.:
461.48
SMILES:
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1cnccn1 |r,wU:24.29,wD:21.22,(12.97,-24.1,;11.64,-23.33,;11.64,-21.79,;12.97,-22.56,;10.3,-24.1,;10.3,-25.65,;8.97,-26.42,;7.64,-25.65,;7.65,-24.11,;8.97,-23.34,;6.32,-23.34,;6.32,-21.8,;4.98,-24.1,;3.65,-23.33,;2.32,-24.09,;2.31,-25.63,;.98,-23.32,;-.35,-24.09,;-.75,-25.57,;-2.24,-25.17,;-1.84,-23.68,;-3.58,-25.93,;-4.91,-25.15,;-6.24,-25.93,;-6.24,-27.47,;-4.91,-28.23,;-3.58,-27.47,;-7.57,-28.24,;-7.57,-29.77,;-8.89,-30.55,;-10.23,-29.78,;-10.24,-28.23,;-8.9,-27.47,)|
Structure:
Search PDB for entries with ligand similarity: