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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL224166
Molecular formula	C17H21N5
IUPAC name	N-[1-(1H-pyrrol-2-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
Molecular weight	295.39
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.4
Synonyms	N-[1-(1H-2-pyrrolylmethyl)-3-piperidyl]-N-(1H-5-indazolyl)amine BDBM50196689 N-(1-((1H-pyrrol-2-yl)methyl)piperidin-3-yl)-1H-indazol-5-amine
Inchi Key	AFRRRQARLYDLTJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21N5/c1-3-15(18-7-1)11-22-8-2-4-16(12-22)20-14-5-6-17-13(9-14)10-19-21-17/h1,3,5-7,9-10,16,18,20H,2,4,8,11-12H2,(H,19,21)
PubChem CID	44421860
ChEMBL	CHEMBL224166
IUPHAR	N/A
BindingDB	50196689
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	10000.0 nM	PMID17046269	BindingDB,ChEMBL

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