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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	CHEMBL3417225
Molecular formula	C33H36F3N3O
IUPAC name	[(1S,3R)-1-propan-2-yl-3-[(5-pyridin-3-yl-2,3-dihydro-1H-inden-1-yl)amino]cyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Molecular weight	547.666
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	6.2
Synonyms	BDBM50077918
Inchi Key	ANARUSDEEXNZJU-LSUJFNKPSA-N
Inchi ID	InChI=1S/C33H36F3N3O/c1-21(2)32(31(40)39-15-12-22-5-8-27(33(34,35)36)17-26(22)20-39)13-11-28(18-32)38-30-10-7-24-16-23(6-9-29(24)30)25-4-3-14-37-19-25/h3-6,8-9,14,16-17,19,21,28,30,38H,7,10-13,15,18,20H2,1-2H3/t28-,30?,32+/m1/s1
PubChem CID	118734680
ChEMBL	CHEMBL3417225
IUPHAR	N/A
BindingDB	50077918
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	10.0 nM	PMID25666912	BindingDB
Ki	10.0 nM	PMID25666912	ChEMBL
Ratio	0.7 -	PMID25666912	ChEMBL

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