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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	CHEMBL3417120
Molecular formula	C29H32F6N2O
IUPAC name	[(1S,3R)-1-propan-2-yl-3-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]amino]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Molecular weight	538.578
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	6.5
Synonyms	BDBM50077950
Inchi Key	AONRERQBBIHFMX-JBGVBMOJSA-N
Inchi ID	InChI=1S/C29H32F6N2O/c1-17(2)27(26(38)37-12-10-18-3-5-21(28(30,31)32)14-20(18)16-37)11-9-23(15-27)36-25-8-4-19-13-22(29(33,34)35)6-7-24(19)25/h3,5-7,13-14,17,23,25,36H,4,8-12,15-16H2,1-2H3/t23-,25?,27+/m1/s1
PubChem CID	118734580
ChEMBL	CHEMBL3417120
IUPHAR	N/A
BindingDB	50077950
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
Ki	13.0 nM	PMID25666912	BindingDB,ChEMBL
Ratio	1.4 -	PMID25666912	ChEMBL

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