Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50400697
Substrate
n/a
Meas. Tech.
ChEMBL_880324 (CHEMBL2216326)
IC50
18±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:
BDBM50400697
Synonyms:
CHEMBL2204261
Type:
Small organic molecule
Emp. Form.:
C23H27F3N4O3S
Mol. Mass.:
496.546
SMILES:
Cc1cnc(s1)[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,(20.16,-25.57,;21.57,-26.19,;22.91,-25.42,;24.06,-26.45,;23.44,-27.88,;21.9,-27.71,;24.22,-29.21,;23.44,-30.54,;24.99,-30.55,;26.53,-30.55,;27.3,-29.22,;26.53,-27.89,;24.99,-27.89,;28.84,-29.21,;29.94,-30.31,;31.02,-29.22,;29.93,-28.13,;32.56,-29.22,;33.33,-27.88,;32.56,-26.55,;34.87,-27.88,;35.64,-29.21,;37.18,-29.21,;37.95,-30.54,;37.95,-27.88,;39.49,-27.88,;40.26,-26.55,;39.49,-25.22,;37.94,-25.22,;37.18,-26.56,;37.16,-23.89,;37.93,-22.56,;35.62,-23.9,;36.38,-22.55,)|
Structure:
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