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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	CHEMBL226065
Molecular formula	C29H30F6N2O
IUPAC name	(1S,3R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[(1R,3'R)-3'-methylspiro[indene-1,4'-piperidine]-1'-yl]cyclopentane-1-carboxamide
Molecular weight	536.562
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	6.9
Synonyms	(1S,3R)-N-{[3,5-bis(trifluoromethyl)phenyl]methyl}-3-[(1R,5''R)-5''-methylspiro[indene-1,4''-piperidine]-1''-yl]cyclopentane-1-carboxamide BDBM50211497
Inchi Key	MGXIAUQCPAQVBR-APPMPJGRSA-N
Inchi ID	InChI=1S/C29H30F6N2O/c1-18-17-37(11-10-27(18)9-8-20-4-2-3-5-25(20)27)24-7-6-21(14-24)26(38)36-16-19-12-22(28(30,31)32)15-23(13-19)29(33,34)35/h2-5,8-9,12-13,15,18,21,24H,6-7,10-11,14,16-17H2,1H3,(H,36,38)/t18-,21-,24+,27-/m0/s1
PubChem CID	44423283
ChEMBL	CHEMBL226065
IUPHAR	N/A
BindingDB	50211497
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	1.4 nM	PMID17461566	BindingDB,ChEMBL
IC50	2.3 nM	PMID17461566	BindingDB,ChEMBL
IC50	57.0 nM	PMID17461566	BindingDB,ChEMBL

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