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Target
C-C chemokine receptor type 2
Ligand
BDBM50331715
Substrate
n/a
Meas. Tech.
ChEMBL_687877 (CHEMBL1291441)
IC50
12±n/a nM
Citation
 Xue, CB; Wang, A; Meloni, D; Zhang, K; Kong, L; Feng, H; Glenn, J; Huang, T; Zhang, Y; Cao, G; Anand, R; Zheng, C; Xia, M; Han, Q; Robinson, DJ; Storace, L; Shao, L; Li, M; Brodmerkel, CM; Covington, M; Scherle, P; Diamond, S; Yeleswaram, S; Vaddi, K; Newton, R; Hollis, G; Friedman, S; Metcalf, B Discovery of INCB3344, a potent, selective and orally bioavailable antagonist of human and murine CCR2. Bioorg Med Chem Lett 20:7473-8 (2010) [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:
BDBM50331715
Synonyms:
CHEMBL1290412 | N-(2-((3S,4S)-4-hydroxy-1-(cis-4-phenylcyclohexyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C26H30F3N3O3
Mol. Mass.:
489.5299
SMILES:
O[C@H]1CN(C[C@@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)[C@H]1CC[C@H](CC1)c1ccccc1 |r,wU:1.0,23.24,26.31,wD:5.6,(-2.46,-10.74,;-3.71,-9.84,;-5.17,-10.31,;-6.08,-9.07,;-5.18,-7.82,;-3.72,-8.3,;-2.39,-7.53,;-1.05,-8.3,;-1.05,-9.84,;.28,-7.53,;1.62,-8.3,;2.95,-7.53,;2.95,-5.99,;4.28,-8.3,;5.61,-7.53,;6.95,-8.29,;6.95,-9.84,;5.62,-10.61,;4.28,-9.84,;5.61,-12.15,;4.28,-12.92,;6.95,-12.92,;5.6,-13.69,;-7.62,-9.07,;-8.39,-10.41,;-9.93,-10.41,;-10.7,-9.07,;-9.93,-7.74,;-8.39,-7.74,;-12.25,-9.07,;-13.01,-7.73,;-14.55,-7.72,;-15.32,-9.06,;-14.55,-10.4,;-13.01,-10.39,)|
Structure:
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