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Target
C-C chemokine receptor type 2
Ligand
BDBM50382948
Substrate
n/a
Meas. Tech.
ChEMBL_819955 (CHEMBL2032542)
IC50
36±n/a nM
Citation
 Xue, CB; Wang, A; Han, Q; Zhang, Y; Cao, G; Feng, H; Huang, T; Zheng, C; Xia, M; Zhang, K; Kong, L; Glenn, J; Anand, R; Meloni, D; Robinson, DJ; Shao, L; Storace, L; Li, M; Hughes, RO; Devraj, R; Morton, PA; Rogier, DJ; Covington, M; Scherle, P; Diamond, S; Emm, T; Yeleswaram, S; Contel, N; Vaddi, K; Newton, R; Hollis, G; Metcalf, B Discovery of INCB8761/PF-4136309, a Potent, Selective, and Orally Bioavailable CCR2 Antagonist. ACS Med Chem Lett 2:913-918 (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:
BDBM50382948
Synonyms:
CHEMBL2029420
Type:
Small organic molecule
Emp. Form.:
C29H31F3N6O3
Mol. Mass.:
568.59
SMILES:
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)-c1cncnc1 |r,wU:4.7,wD:8.8,1.0,(23.78,-43.01,;25.12,-43.78,;26.45,-44.54,;27.78,-43.78,;27.78,-42.24,;26.45,-41.46,;25.12,-42.24,;29.12,-41.48,;30.45,-42.25,;30.47,-43.78,;31.94,-44.24,;32.83,-42.98,;31.91,-41.75,;34.16,-42.2,;34.15,-40.66,;35.5,-42.96,;36.82,-42.18,;38.16,-42.95,;38.17,-44.49,;39.49,-42.17,;39.47,-40.64,;40.79,-39.85,;42.14,-40.61,;42.15,-42.16,;40.83,-42.93,;43.49,-42.92,;43.5,-44.46,;44.82,-42.14,;44.74,-43.81,;23.79,-44.55,;22.46,-43.78,;21.12,-44.55,;21.13,-46.09,;22.47,-46.86,;23.8,-46.09,;19.79,-46.87,;18.46,-46.11,;17.13,-46.88,;17.13,-48.42,;18.48,-49.19,;19.81,-48.41,)|
Structure:
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