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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	UNII-HD099HOT7H
Molecular formula	C30H37Cl2IN2O2
IUPAC name	2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide
Molecular weight	655.442
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	None
Synonyms	HD099HOT7H Piperidinium, 1-(1-cycloocten-1-ylmethyl)-4-(((2,7-dichloro-9H-xanthen-9-yl)carbonyl)amino)-1-ethyl-, iodide, cis- UNII-H942HGF14D B7118 J-113863 SCHEMBL8184177 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide CHEMBL34626 Piperidinium, 1-(1-cycloocten-1-ylmethyl)-4-(((2,7-dichloro-9H-xanthen-9-yl)carbonyl)amino)-1-ethyl-, iodide (1:1), cis- UNII-E32U2ESR7J component FOAFBMYSXIGAOX-KEKKVSGZSA-N 301648-08-8 AC1OCFI1 J 113863 Piperidinium, 1-(1-cycloocten-1-ylmethyl)-4-(((2,7-dichloro-9H-xanthen-9-yl)carbonyl)amino)-1-ethyl-, iodide, trans- J-113863, cis- SCHEMBL8187807 202796-41-6 H942HGF14D Piperidinium, 1-(1-cycloocten-1-ylmethyl)-4-(((2,7-dichloro-9H-xanthen-9-yl)carbonyl)amino)-1-ethyl-, iodide (1:1), trans- UNII-E32U2ESR7J component FOAFBMYSXIGAOX-MUMZCOSOSA-N 353791-85-2 AKOS025295214 J-017805 RT-013393 CHEMBL277930 J-113863, trans- SCHEMBL8189438 202796-42-7 [ Show all ]
Inchi Key	FOAFBMYSXIGAOX-LQGGPMKRSA-N
Inchi ID	InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;
PubChem CID	6918496
ChEMBL	CHEMBL277930
IUPHAR	N/A
BindingDB	50098643
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<1000.0 nM	PMID11311066	ChEMBL

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