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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	CHEMBL2088381
Molecular formula	C30H39F3N4O3S
IUPAC name	N-[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-[(4-propylphenyl)sulfonylmethyl]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide
Molecular weight	592.722
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	6.0
Synonyms	SCHEMBL3424755 ALAOJFCEUYZLEH-FBLLAGFSSA-N (1S,2R,4R)-N-[4-(isopropyl-methyl-amino)-2-(4-propyl-benzenesulfonylmethyl)-cyclohexyl]-2-(4-trifluoromethyl-1H-benzoimidazol-2-yl)-acetamide BDBM50391016
Inchi Key	ALAOJFCEUYZLEH-FBLLAGFSSA-N
Inchi ID	InChI=1S/C30H39F3N4O3S/c1-5-7-20-10-13-23(14-11-20)41(39,40)18-21-16-22(37(4)19(2)3)12-15-25(21)35-28(38)17-27-34-26-9-6-8-24(29(26)36-27)30(31,32)33/h6,8-11,13-14,19,21-22,25H,5,7,12,15-18H2,1-4H3,(H,34,36)(H,35,38)/t21-,22+,25-/m0/s1
PubChem CID	11342351
ChEMBL	CHEMBL2088381
IUPHAR	N/A
BindingDB	50391016
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	38.0 nM	PMID22939233	BindingDB,ChEMBL

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