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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	C-C chemokine receptor type 2
Species	Homo sapiens (Human)
Gene	CCR2
Synonym	MCP-1-R Monocyte chemoattractant protein 1 receptor CKR2 MCP-1 receptor chemokine receptor CCR2 C-C CKR-2 CC CKR2 CC-CKR-2 CCR-2 CCR2 CCR2A CCR2B CD192 chemokine (C-C motif) receptor 2 [ Show all ]
Disease	Chronic obstructive pulmonary disease Neuropathic pain Multiple scierosis Metastatic cancer; Multiple scierosis Inflammatory disease Diabetic nephropathy Obese insulin-resistant disorders; Rheumatoid arthritis Atherosclerosis Arthritis Rheumatoid arthritis Arteriosclerosis Alzheimer disease [ Show all ]
Length	374
Amino acid sequence	MLSTSRSRFIRNTNESGEEVTTFFDYDYGAPCHKFDVKQIGAQLLPPLYSLVFIFGFVGNMLVVLILINCKKLKCLTDIYLLNLAISDLLFLITLPLWAHSAANEWVFGNAMCKLFTGLYHIGYFGGIFFIILLTIDRYLAIVHAVFALKARTVTFGVVTSVITWLVAVFASVPGIIFTKCQKEDSVYVCGPYFPRGWNNFHTIMRNILGLVLPLLIMVICYSGILKTLLRCRNEKKRHRAVRVIFTIMIVYFLFWTPYNIVILLNTFQEFFGLSNCESTSQLDQATQVTETLGMTHCCINPIIYAFVGEKFRSLFHIALGCRIAPLQKPVCGGPGVRPGKNVKVTTQGLLDGRGKGKSIGRAPEASLQDKEGA
UniProt	P41597
Protein Data Bank	6gpx, 6gps
GPCR-HGmod model	P41597
3D structure model	This structure is from PDB ID 6gpx.
BioLiP	BL0437328,BL0437329, BL0437327, BL0437326, BL0437325
Therapeutic Target Database	T89988
ChEMBL	CHEMBL4015
IUPHAR	59
DrugBank	N/A

Ligand

Name	CHEMBL185283
Molecular formula	C22H26ClN3O2
IUPAC name	N-[3-[[1-[(4-chlorophenyl)methyl]pyrrolidin-2-yl]methylamino]-3-oxopropyl]benzamide
Molecular weight	399.919
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.2
Synonyms	BDBM50153958 N-(2-{[1-(4-Chloro-benzyl)-pyrrolidin-2-ylmethyl]-carbamoyl}-ethyl)-benzamide
Inchi Key	AFBWBBDGWSYOIG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26ClN3O2/c23-19-10-8-17(9-11-19)16-26-14-4-7-20(26)15-25-21(27)12-13-24-22(28)18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,24,28)(H,25,27)
PubChem CID	44395129
ChEMBL	CHEMBL185283
IUPHAR	N/A
BindingDB	50153958
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	40000.0 nM	PMID15454236	BindingDB,ChEMBL

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