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GLASS

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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	CHEMBL1089965
Molecular formula	C29H35F3N4O3
IUPAC name	N-[2-[[(3R)-1-[2-[1-(4-methylbenzoyl)piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Molecular weight	544.619
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.3
Synonyms	BDBM50315036 SCHEMBL13271618 (R)-N-(2-(1-(2-(1-(4-methylbenzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide
Inchi Key	BDDMHAOYXLWHLH-RUZDIDTESA-N
Inchi ID	InChI=1S/C29H35F3N4O3/c1-20-5-7-22(8-6-20)28(39)36-15-10-21(11-16-36)9-13-35-14-12-25(19-35)34-26(37)18-33-27(38)23-3-2-4-24(17-23)29(30,31)32/h2-8,17,21,25H,9-16,18-19H2,1H3,(H,33,38)(H,34,37)/t25-/m1/s1
PubChem CID	46842232
ChEMBL	CHEMBL1089965
IUPHAR	N/A
BindingDB	50315036
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	620.0 nM	PMID20223662	BindingDB,ChEMBL
IC50	1000.0 nM	PMID20223662	BindingDB,ChEMBL

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