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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	CHEMBL2113072
Molecular formula	C21H30ClN3O
IUPAC name	4-N-[2-[(4-chlorophenoxy)methyl]pyridin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Molecular weight	375.941
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50409960
Inchi Key	CCNWMQDEKJAVQS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H30ClN3O/c1-4-25(5-2)14-6-7-17(3)24-19-12-13-23-20(15-19)16-26-21-10-8-18(22)9-11-21/h8-13,15,17H,4-7,14,16H2,1-3H3,(H,23,24)
PubChem CID	71452724
ChEMBL	CHEMBL2113072
IUPHAR	N/A
BindingDB	50409960
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	20000.0 nM	PMID15863339	BindingDB,ChEMBL

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