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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL2036783
Molecular formula	C17H23Cl2N5O2
IUPAC name	N-(3,4-dichlorophenyl)-4-[(2R)-4-methylpiperazine-2-carbonyl]piperazine-1-carboxamide
Molecular weight	400.304
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.1
Synonyms	BDBM50385449 SCHEMBL1943456
Inchi Key	AGOIHCOCOBMQTP-OAHLLOKOSA-N
Inchi ID	InChI=1S/C17H23Cl2N5O2/c1-22-5-4-20-15(11-22)16(25)23-6-8-24(9-7-23)17(26)21-12-2-3-13(18)14(19)10-12/h2-3,10,15,20H,4-9,11H2,1H3,(H,21,26)/t15-/m1/s1
PubChem CID	67220645
ChEMBL	CHEMBL2036783
IUPHAR	N/A
BindingDB	50385449
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	69.0 nM	PMID22608963	BindingDB,ChEMBL
IC50	362.0 nM	PMID22608963	BindingDB,ChEMBL

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