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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	CHEMBL1684706
Molecular formula	C23H35F4N3O4
IUPAC name	1,1,1-trifluoropropan-2-yl (1S,4S)-5-[(1S,3R)-3-[(3-fluorooxan-4-yl)amino]-1-propan-2-ylcyclopentanecarbonyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Molecular weight	493.544
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.3
Synonyms	(1S,4S)-1,1,1-trifluoropropan-2-yl 5-((1S,3R)-3-(3-fluorotetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentanecarbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate BDBM50338135
Inchi Key	AYBACIIUMAZHGP-XHCWLKBBSA-N
Inchi ID	InChI=1S/C23H35F4N3O4/c1-13(2)22(6-4-15(9-22)28-19-5-7-33-12-18(19)24)20(31)29-10-17-8-16(29)11-30(17)21(32)34-14(3)23(25,26)27/h13-19,28H,4-12H2,1-3H3/t14?,15-,16+,17+,18?,19?,22+/m1/s1
PubChem CID	53317028
ChEMBL	CHEMBL1684706
IUPHAR	N/A
BindingDB	50338135
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3.2 nM	PMID21316220	BindingDB,ChEMBL

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