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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	CHEMBL1684686
Molecular formula	C22H37N3O3
IUPAC name	1-[(1S,4S)-5-[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentanecarbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]propan-1-one
Molecular weight	391.556
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	1.7
Synonyms	N/A
Inchi Key	AFMHXICRIXRSPP-GHDARCQNSA-N
Inchi ID	InChI=1S/C22H37N3O3/c1-4-20(26)24-13-19-11-18(24)14-25(19)21(27)22(15(2)3)8-5-17(12-22)23-16-6-9-28-10-7-16/h15-19,23H,4-14H2,1-3H3/t17-,18+,19+,22+/m1/s1
PubChem CID	53323651
ChEMBL	CHEMBL1684686
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	28.0 %	PMID21316220	ChEMBL

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