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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	CHEMBL2088385
Molecular formula	C34H39F3N4O3S
IUPAC name	N-[(1S,2R,4R)-2-[(4-benzylphenyl)sulfonylmethyl]-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-[4-(trifluoromethyl)-1H-benzimidazol-2-yl]acetamide
Molecular weight	640.766
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	6.5
Synonyms	BDBM50391020 SCHEMBL3422982
Inchi Key	AYQQJSQHXLZXMR-HFASVGIHSA-N
Inchi ID	InChI=1S/C34H39F3N4O3S/c1-22(2)41(3)26-14-17-29(39-32(42)20-31-38-30-11-7-10-28(33(30)40-31)34(35,36)37)25(19-26)21-45(43,44)27-15-12-24(13-16-27)18-23-8-5-4-6-9-23/h4-13,15-16,22,25-26,29H,14,17-21H2,1-3H3,(H,38,40)(H,39,42)/t25-,26+,29-/m0/s1
PubChem CID	11456448
ChEMBL	CHEMBL2088385
IUPHAR	N/A
BindingDB	50391020
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	45.5 nM	PMID22939233	ChEMBL
IC50	46.0 nM	PMID22939233	BindingDB

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