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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.
Go to the ligand page and check other GPCRs which it interacts with.
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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	CHEMBL416069
Molecular formula	C31H42N4O4S
IUPAC name	2-[(2R,5R)-2-cyclohexyl-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-(naphthalen-1-ylmethyl)acetamide
Molecular weight	566.761
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.1
Synonyms	BDBM50142386 2-((1R,4R)-2-Cyclohexyl-5-{[(naphthalen-1-ylmethyl)-carbamoyl]-methyl}-4-oxo-thiazolidin-3-yl)-N-(3-morpholin-4-yl-propyl)-acetamide
Inchi Key	CBKJCWSSGNVWCU-DLFZDVPBSA-N
Inchi ID	InChI=1S/C31H42N4O4S/c36-28(33-21-25-12-6-11-23-8-4-5-13-26(23)25)20-27-30(38)35(31(40-27)24-9-2-1-3-10-24)22-29(37)32-14-7-15-34-16-18-39-19-17-34/h4-6,8,11-13,24,27,31H,1-3,7,9-10,14-22H2,(H,32,37)(H,33,36)/t27-,31-/m1/s1
PubChem CID	44288863
ChEMBL	CHEMBL416069
IUPHAR	N/A
BindingDB	50142386
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	100000.0 nM	PMID15026036	BindingDB,ChEMBL

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