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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 4
Species	Homo sapiens (Human)
Gene	CCR4
Synonym	K5-5 ChemR13 chemokine (C-C motif) receptor 4 CD194 CCR4 CCR-4 CC-CKR-4 CC CKR4 C-C CKR-4 C-C chemokine receptor 4 [ Show all ]
Disease	Asthma Atopic dermatitis Autoimmune diabetes
Length	360
Amino acid sequence	MNPTDIADTTLDESIYSNYYLYESIPKPCTKEGIKAFGELFLPPLYSLVFVFGLLGNSVVVLVLFKYKRLRSMTDVYLLNLAISDLLFVFSLPFWGYYAADQWVFGLGLCKMISWMYLVGFYSGIFFVMLMSIDRYLAIVHAVFSLRARTLTYGVITSLATWSVAVFASLPGFLFSTCYTERNHTYCKTKYSLNSTTWKVLSSLEINILGLVIPLGIMLFCYSMIIRTLQHCKNEKKNKAVKMIFAVVVLFLGFWTPYNIVLFLETLVELEVLQDCTFERYLDYAIQATETLAFVHCCLNPIIYFFLGEKFRKYILQLFKTCRGLFVLCQYCGLLQIYSADTPSSSYTQSTMDHDLHDAL
UniProt	P51679
Protein Data Bank	N/A
GPCR-HGmod model	P51679
3D structure model	This predicted structure model is from GPCR-EXP P51679.
BioLiP	N/A
Therapeutic Target Database	T06955
ChEMBL	CHEMBL2414
IUPHAR	61
DrugBank	N/A

Ligand

Name	CHEMBL488857
Molecular formula	C25H32ClN5O3
IUPAC name	3-[[1-[4-(4-chloroanilino)-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]-methylamino]propan-1-ol
Molecular weight	486.013
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.7
Synonyms	BDBM50245071 3-[(1-{4-[(4-Chlorophenyl)amino]-6,7-dimethoxyquinazolin-2-yl}piperidin-4-yl)(methyl)amino]propan-1-ol
Inchi Key	COCWQKFCDRXFCL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H32ClN5O3/c1-30(11-4-14-32)19-9-12-31(13-10-19)25-28-21-16-23(34-3)22(33-2)15-20(21)24(29-25)27-18-7-5-17(26)6-8-18/h5-8,15-16,19,32H,4,9-14H2,1-3H3,(H,27,28,29)
PubChem CID	44562191
ChEMBL	CHEMBL488857
IUPHAR	N/A
BindingDB	50245071
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	43.0 nM	PMID18694645	BindingDB,ChEMBL
IC50	280.0 nM	PMID18694645	BindingDB,ChEMBL

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