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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.
Go to the GPCR page and check other ligands which interact with it.
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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	CHEMBL488690
Molecular formula	C27H37ClN6O2
IUPAC name	N-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethyl]-1,4-diazepan-1-yl]-6,7-dimethoxyquinazolin-4-amine
Molecular weight	513.083
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.4
Synonyms	BDBM50245112 N-(4-Chlorophenyl)-2-{4-[2-(diethylamino)ethyl]-1,4-diazepan-1-yl}-6,7-dimethoxyquinazolin-4-amine
Inchi Key	ABSJDAAPHZEZFF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H37ClN6O2/c1-5-32(6-2)14-15-33-12-7-13-34(17-16-33)27-30-23-19-25(36-4)24(35-3)18-22(23)26(31-27)29-21-10-8-20(28)9-11-21/h8-11,18-19H,5-7,12-17H2,1-4H3,(H,29,30,31)
PubChem CID	44562236
ChEMBL	CHEMBL488690
IUPHAR	N/A
BindingDB	50245112
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	92.0 nM	PMID18694645	BindingDB,ChEMBL
Inhibition	15.0 %	PMID18694645	ChEMBL

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