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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	CHEMBL181918
Molecular formula	C28H33FN2O3S
IUPAC name	1-(3-fluorophenyl)-3-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylpropan-1-ol
Molecular weight	496.641
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM50153916 1-(3-Fluoro-phenyl)-3-[4-(4-methanesulfonyl-benzyl)-[1,4]diazepan-1-yl]-1-phenyl-propan-1-ol
Inchi Key	AVKQBZLJVGNTGC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H33FN2O3S/c1-35(33,34)27-13-11-23(12-14-27)22-31-17-6-16-30(19-20-31)18-15-28(32,24-7-3-2-4-8-24)25-9-5-10-26(29)21-25/h2-5,7-14,21,32H,6,15-20,22H2,1H3
PubChem CID	44395194
ChEMBL	CHEMBL181918
IUPHAR	N/A
BindingDB	50153916
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	12000.0 nM	PMID15454235	BindingDB,ChEMBL
Inhibition	95.0 %	PMID15454235	ChEMBL

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