Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50400702
Substrate
n/a
Meas. Tech.
ChEMBL_880324 (CHEMBL2216326)
IC50
2700±n/a nM
Citation
 Zhang, X; Hou, C; Hufnagel, H; Singer, M; Opas, E; McKenney, S; Johnson, D; Sui, Z Discovery of a 4-Azetidinyl-1-thiazoyl-cyclohexane CCR2 Antagonist as a Development Candidate. ACS Med Chem Lett 3:1039-1044 (2012) [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:
BDBM50400702
Synonyms:
CHEMBL2204256
Type:
Small organic molecule
Emp. Form.:
C23H28F3N5O3
Mol. Mass.:
479.4953
SMILES:
Cn1ccc(n1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F |r,wU:10.14,wD:6.7,(41.39,-3.02,;42.8,-3.64,;44.13,-2.86,;45.29,-3.9,;44.66,-5.32,;43.12,-5.15,;45.44,-6.66,;44.66,-7.99,;46.21,-8,;47.75,-8,;48.52,-6.66,;47.75,-5.34,;46.21,-5.34,;50.06,-6.66,;51.15,-7.75,;52.24,-6.66,;51.15,-5.58,;53.78,-6.66,;54.55,-5.33,;53.78,-3.99,;56.09,-5.33,;56.86,-6.66,;58.4,-6.66,;59.17,-7.99,;59.17,-5.32,;60.71,-5.33,;61.48,-3.99,;60.7,-2.66,;59.16,-2.67,;58.4,-4,;58.38,-1.34,;59.14,,;56.84,-1.35,;57.6,.01,)|
Structure:
Search PDB for entries with ligand similarity: