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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL3589845
Molecular formula	C32H31F7N2O2
IUPAC name	N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-spiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-ylbutanamide
Molecular weight	608.601
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	6.7
Synonyms	BDBM50097887 N-[3,5-Bis(trifluoromethyl)benzyl]-2-(4-fluorophenyl)-4-(3,4-dihydrospiro[1H-2-benzopyran-1,4'-piperidine]-1'-yl)butanamide
Inchi Key	QHHGOEMDEWUDCB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H31F7N2O2/c33-26-7-5-22(6-8-26)27(29(42)40-20-21-17-24(31(34,35)36)19-25(18-21)32(37,38)39)9-13-41-14-11-30(12-15-41)28-4-2-1-3-23(28)10-16-43-30/h1-8,17-19,27H,9-16,20H2,(H,40,42)
PubChem CID	122181150
ChEMBL	CHEMBL3589845
IUPHAR	N/A
BindingDB	50097887
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	89.0 nM	PMID25766632	BindingDB,ChEMBL
Inhibition	25.0 %	PMID25766632	ChEMBL

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