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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	CHEMBL231246
Molecular formula	C30H34F4N2OS
IUPAC name	(1R,3R)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-[(1S,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]-1-(methylsulfanylmethyl)cyclopentane-1-carboxamide
Molecular weight	546.669
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	6.6
Synonyms	BDBM50212122 (1R,3R)-N-{[3-fluoro-5-(trifluoromethyl)phenyl]methyl}-3-[(1S,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]-1-[(methylsulfanyl)methyl]cyclopentane-1-carboxamide
Inchi Key	CBXVNXOAKIFVRY-DAORKYKSSA-N
Inchi ID	InChI=1S/C30H34F4N2OS/c1-20-18-36(12-11-29(20)10-7-22-5-3-4-6-26(22)29)25-8-9-28(16-25,19-38-2)27(37)35-17-21-13-23(30(32,33)34)15-24(31)14-21/h3-7,10,13-15,20,25H,8-9,11-12,16-19H2,1-2H3,(H,35,37)/t20-,25+,28-,29+/m0/s1
PubChem CID	44425653
ChEMBL	CHEMBL231246
IUPHAR	N/A
BindingDB	50212122
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	3.467 nM	PMID18258426	ChEMBL
IC50	3.5 nM	PMID18258426, PMID17482462	BindingDB,ChEMBL

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