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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	CHEMBL504065
Molecular formula	C32H33F3N4O5S
IUPAC name	benzyl N-[4-[(4-methylsulfanylbenzoyl)amino]-3-[[2-[[3-(trifluoromethyl)benzoyl]amino]acetyl]amino]cyclohexyl]carbamate
Molecular weight	642.694
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	5.2
Synonyms	(+/-)-benzyl-4-(4-(methylthio)benzamido)-3-(2-(3-(trifluoromethyl)benzamido)acetamido)cyclohexylcarbamate BDBM50255172 (+/-)-benzyl4-(4-(methylthio)benzamido)-3-(2-(3-(trifluoromethyl)benzamido)acetamido) cyclohexylcarbamate
Inchi Key	AHSMKZRUQWMISJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H33F3N4O5S/c1-45-25-13-10-21(11-14-25)30(42)39-26-15-12-24(37-31(43)44-19-20-6-3-2-4-7-20)17-27(26)38-28(40)18-36-29(41)22-8-5-9-23(16-22)32(33,34)35/h2-11,13-14,16,24,26-27H,12,15,17-19H2,1H3,(H,36,41)(H,37,43)(H,38,40)(H,39,42)
PubChem CID	44593554
ChEMBL	CHEMBL504065
IUPHAR	N/A
BindingDB	50255172
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
Activity	0.0 %	PMID19131247	ChEMBL
IC50	1605.0 nM	PMID19131247	BindingDB,ChEMBL

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