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Target
C-C chemokine receptor type 2
Ligand
BDBM50382937
Substrate
n/a
Meas. Tech.
ChEMBL_819956 (CHEMBL2032543)
IC50
40±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:
BDBM50382937
Synonyms:
CHEMBL2029570
Type:
Small organic molecule
Emp. Form.:
C30H35F3N8O2
Mol. Mass.:
596.6465
SMILES:
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cc(ncn1)C(F)(F)F)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(-3.69,-30.07,;-2.36,-30.84,;-1.03,-31.6,;.3,-30.84,;.3,-29.3,;-1.03,-28.52,;-2.36,-29.3,;1.64,-28.53,;2.97,-29.31,;2.99,-30.84,;4.46,-31.3,;5.35,-30.04,;4.43,-28.81,;6.68,-29.26,;6.67,-27.72,;8.02,-30.02,;8.02,-31.56,;9.35,-32.32,;10.68,-31.54,;10.67,-30,;9.33,-29.23,;12.02,-32.31,;13.34,-31.53,;14.67,-32.29,;14.68,-33.83,;13.35,-34.61,;12.02,-33.84,;16,-31.51,;17.34,-32.27,;15.99,-29.97,;17.33,-30.72,;-3.69,-31.61,;-5.02,-30.84,;-6.35,-31.61,;-6.35,-33.15,;-5.01,-33.92,;-3.68,-33.15,;-7.68,-33.93,;-9.02,-33.17,;-10.35,-33.94,;-10.34,-35.48,;-9,-36.25,;-7.67,-35.47,)|
Structure:
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