Reaction Details Report a problem with these data
Target
C-C chemokine receptor type 2
Ligand
BDBM50091438
Substrate
n/a
Meas. Tech.
ChEMBL_41894 (CHEMBL655687)
Ki
50±n/a nM
Citation
 Berkhout, TA; Blaney, FE; Bridges, AM; Cooper, DG; Forbes, IT; Gribble, AD; Groot, PH; Hardy, A; Ife, RJ; Kaur, R; Moores, KE; Shillito, H; Willetts, J; Witherington, J CCR2: characterization of the antagonist binding site from a combined receptor modeling/mutagenesis approach. J Med Chem 46:4070-86 (2003) [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:
BDBM50091438
Synonyms:
(E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-indol-3-yl)-piperidin-1-yl]-pentyl}-acrylamide | (E)-3-(3,4-dichlorophenyl)-N-(5-(4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl)pentyl)acrylamide | 3-(3,4-dichlorophenyl)-N-(5-(4-(5-hydroxy-1H-indol-3-yl)piperidin-1-yl)pentyl)acrylamide | CHEMBL432713 | TCMDC-139245
Type:
Small organic molecule
Emp. Form.:
C27H31Cl2N3O2
Mol. Mass.:
500.46
SMILES:
Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Structure:
Search PDB for entries with ligand similarity: