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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	CHEMBL459464
Molecular formula	C25H37N5O
IUPAC name	N-cycloheptyl-7-methoxy-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-4-amine
Molecular weight	423.605
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.7
Synonyms	BDBM50244126 N-cycloheptyl-7-methoxy-2-(4-(pyrrolidin-1-yl)piperidin-1-yl)quinazolin-4-amine
Inchi Key	DZSXOSFSUGNQQK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H37N5O/c1-31-21-10-11-22-23(18-21)27-25(28-24(22)26-19-8-4-2-3-5-9-19)30-16-12-20(13-17-30)29-14-6-7-15-29/h10-11,18-20H,2-9,12-17H2,1H3,(H,26,27,28)
PubChem CID	44561334
ChEMBL	CHEMBL459464
IUPHAR	N/A
BindingDB	50244126
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
Activity	0.12 uM	PMID18539035	ChEMBL
IC50	13.0 nM	PMID18539035	BindingDB,ChEMBL
Inhibition	0.0 %	PMID18539035	ChEMBL
Inhibition	10.0 %	PMID18539035	ChEMBL

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