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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	CHEMBL1089629
Molecular formula	C29H32F6N4O3
IUPAC name	N-[2-oxo-2-[[(3R)-1-[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
Molecular weight	598.59
Hydrogen bond acceptor	10
Hydrogen bond donor	2
XlogP	4.8
Synonyms	BDBM50315033 SCHEMBL13271689 (R)-N-(2-oxo-2-(1-(2-(1-(4-(trifluoromethyl)benzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)ethyl)-3-(trifluoromethyl)benzamide
Inchi Key	ADJIIADSNIOSDG-XMMPIXPASA-N
Inchi ID	InChI=1S/C29H32F6N4O3/c30-28(31,32)22-6-4-20(5-7-22)27(42)39-14-9-19(10-15-39)8-12-38-13-11-24(18-38)37-25(40)17-36-26(41)21-2-1-3-23(16-21)29(33,34)35/h1-7,16,19,24H,8-15,17-18H2,(H,36,41)(H,37,40)/t24-/m1/s1
PubChem CID	46842235
ChEMBL	CHEMBL1089629
IUPHAR	N/A
BindingDB	50315033
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	660.0 nM	PMID20223662	BindingDB,ChEMBL
IC50	2210.0 nM	PMID20223662	BindingDB,ChEMBL

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