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Target
C-C chemokine receptor type 2
Ligand
BDBM50382943
Substrate
n/a
Meas. Tech.
ChEMBL_819956 (CHEMBL2032543)
IC50
6.5±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:
BDBM50382943
Synonyms:
CHEMBL2029421
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)-c1cnccn1 |r,wU:4.7,wD:8.8,1.0,(-4.25,4.39,;-2.91,3.62,;-1.58,2.85,;-.25,3.62,;-.25,5.16,;-1.58,5.93,;-2.91,5.16,;1.09,5.92,;2.42,5.15,;2.43,3.61,;3.9,3.16,;4.8,4.41,;3.88,5.65,;6.13,5.19,;6.11,6.73,;7.46,4.43,;8.79,5.21,;10.13,4.45,;10.14,2.91,;11.46,5.23,;11.44,6.76,;12.76,7.55,;14.11,6.78,;14.12,5.24,;12.79,4.46,;15.46,4.48,;15.47,2.94,;16.79,5.26,;16.71,3.59,;-4.24,2.84,;-5.57,3.62,;-6.91,2.84,;-6.91,1.3,;-5.56,.53,;-4.23,1.31,;-8.24,.53,;-9.57,1.29,;-10.9,.52,;-10.9,-1.02,;-9.55,-1.79,;-8.23,-1.01,)|
Structure:
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