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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	CHEMBL3577940
Molecular formula	C28H36F3N3O2
IUPAC name	N-[2-[[(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-(2-phenylethyl)cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight	503.61
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	5.8
Synonyms	BDBM50089337
Inchi Key	AQTIPNCIMOFYSH-SDUSCBPUSA-N
Inchi ID	InChI=1S/C28H36F3N3O2/c1-19(2)34(3)24-14-15-25(21(17-24)13-12-20-8-5-4-6-9-20)33-26(35)18-32-27(36)22-10-7-11-23(16-22)28(29,30)31/h4-11,16,19,21,24-25H,12-15,17-18H2,1-3H3,(H,32,36)(H,33,35)/t21-,24-,25+/m1/s1
PubChem CID	122178128
ChEMBL	CHEMBL3577940
IUPHAR	N/A
BindingDB	50089337
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	1.8 nM	PMID25893046	BindingDB,ChEMBL
IC50	2.5 nM	PMID25893046	BindingDB,ChEMBL

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