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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	CHEMBL3115097
Molecular formula	C25H34F3N5O4
IUPAC name	(3aR,5R,6aR)-5-[(3-methoxyoxan-4-yl)amino]-N-methyl-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide
Molecular weight	525.573
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	0.3
Synonyms	BDBM50446862 SCHEMBL15444151
Inchi Key	AMWVSLPKFJWLJF-KAMXTENUSA-N
Inchi ID	InChI=1S/C25H34F3N5O4/c1-29-23(35)33-12-17-8-18(31-20-4-6-37-13-21(20)36-2)9-24(17,14-33)22(34)32-5-3-19-15(11-32)7-16(10-30-19)25(26,27)28/h7,10,17-18,20-21,31H,3-6,8-9,11-14H2,1-2H3,(H,29,35)/t17-,18+,20?,21?,24-/m0/s1
PubChem CID	72948001
ChEMBL	CHEMBL3115097
IUPHAR	N/A
BindingDB	50446862
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	71.0 nM	PMID23916257	BindingDB,ChEMBL
IC50	77.0 nM	PMID23916257	BindingDB,ChEMBL

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