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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	TCMDC-139117
Molecular formula	C25H30Cl2N4O
IUPAC name	1-(3,4-dichlorophenyl)-3-[5-[4-(1H-indol-3-yl)piperidin-1-yl]pentyl]urea
Molecular weight	473.442
Hydrogen bond acceptor	2
Hydrogen bond donor	3
XlogP	5.7
Synonyms	BDBM50091441 3-[1-[5-[3-(3,4-Dichlorophenyl)ureido]pentyl]-4-piperidinyl]-1H-indole 1-(3,4-Dichloro-phenyl)-3-{5-[4-(1H-indol-3-yl)-piperidin-1-yl]-pentyl}-urea CHEMBL300025 1-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-3-(3,4-dichlorophenyl)urea
Inchi Key	ARMKFSFVQYRQSN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H30Cl2N4O/c26-22-9-8-19(16-23(22)27)30-25(32)28-12-4-1-5-13-31-14-10-18(11-15-31)21-17-29-24-7-3-2-6-20(21)24/h2-3,6-9,16-18,29H,1,4-5,10-15H2,(H2,28,30,32)
PubChem CID	44296501
ChEMBL	CHEMBL300025
IUPHAR	N/A
BindingDB	50091441
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1600.0 nM	PMID10969972, PMID18226895	BindingDB,ChEMBL
Ki	1621.81 nM	PMID18226895	ChEMBL

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