Reaction Details
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Target
C-C chemokine receptor type 2
Ligand
BDBM50363945
Substrate
n/a
Meas. Tech.
ChEMBL_802787 (CHEMBL1953521)
IC50
4.3±n/a nM
Citation
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More Info.:
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:
BDBM50363945
Synonyms:
CHEMBL1951770
Type:
Small organic molecule
Emp. Form.:
C25H29F3N4O3
Mol. Mass.:
490.518
SMILES:
O[C@]1(CC[C@@H](CC1)N1CC[C@H](C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccncc1 |r,wU:4.7,wD:10.13,1.0,(-5.8,-20.26,;-5.02,-21.6,;-4.22,-22.92,;-2.68,-22.89,;-1.94,-21.54,;-2.74,-20.22,;-4.28,-20.25,;-.4,-21.51,;.52,-22.73,;1.98,-22.23,;1.95,-20.69,;.48,-20.24,;3.27,-19.9,;4.62,-20.66,;4.64,-22.2,;5.94,-19.87,;7.28,-20.62,;8.61,-19.84,;8.59,-18.3,;9.95,-20.59,;9.96,-22.13,;11.3,-22.88,;12.63,-22.1,;12.6,-20.55,;11.26,-19.8,;13.93,-19.76,;15.27,-20.51,;13.9,-18.22,;15.25,-18.98,;-6.56,-21.64,;-7.36,-20.33,;-8.9,-20.36,;-9.65,-21.71,;-8.85,-23.03,;-7.31,-23,)|