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Target
C-C chemokine receptor type 2
Ligand
BDBM50382936
Substrate
n/a
Meas. Tech.
ChEMBL_819954 (CHEMBL2032541)
IC50
11±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:
BDBM50382936
Synonyms:
CHEMBL2029571
Type:
Small organic molecule
Emp. Form.:
C31H36N8O2
Mol. Mass.:
552.6699
SMILES:
O[C@]1(CC[C@@H](CC1)N[C@H]1CCN(C1)C(=O)C1CCN(CC1)c1cc(ccn1)C#N)c1ccc(cn1)-c1ncccn1 |r,wU:4.7,wD:1.0,8.8,(26.18,-29.46,;27.52,-30.23,;28.85,-30.99,;30.18,-30.23,;30.18,-28.69,;28.85,-27.91,;27.52,-28.69,;31.51,-27.93,;32.84,-28.7,;32.86,-30.23,;34.33,-30.69,;35.22,-29.43,;34.3,-28.2,;36.55,-28.66,;36.54,-27.12,;37.89,-29.42,;37.89,-30.95,;39.22,-31.71,;40.56,-30.94,;40.55,-29.39,;39.21,-28.63,;41.89,-31.7,;43.21,-30.92,;44.55,-31.68,;44.56,-33.23,;43.23,-34,;41.89,-33.24,;45.88,-30.9,;47.2,-30.12,;26.19,-31,;24.85,-30.23,;23.52,-31,;23.52,-32.55,;24.87,-33.31,;26.19,-32.54,;22.19,-33.32,;20.86,-32.56,;19.53,-33.33,;19.53,-34.87,;20.88,-35.64,;22.2,-34.86,)|
Structure:
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