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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	CHEMBL42334
Molecular formula	C33H38Cl2N4O3S
IUPAC name	2-[(2R,5R)-2-(2,4-dichlorophenyl)-4-oxo-3-[2-oxo-2-(3-piperidin-1-ylpropylamino)ethyl]-1,3-thiazolidin-5-yl]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
Molecular weight	641.652
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	6.1
Synonyms	BDBM50142370 2-{(2R,5R)-2-(2,4-Dichloro-phenyl)-5-[((R)-1-naphthalen-1-yl-ethylcarbamoyl)-methyl]-4-oxo-thiazolidin-3-yl}-N-(3-piperidin-1-yl-propyl)-acetamide
Inchi Key	COUJFDKQCHWQLT-PCLMVKJGSA-N
Inchi ID	InChI=1S/C33H38Cl2N4O3S/c1-22(25-12-7-10-23-9-3-4-11-26(23)25)37-30(40)20-29-32(42)39(33(43-29)27-14-13-24(34)19-28(27)35)21-31(41)36-15-8-18-38-16-5-2-6-17-38/h3-4,7,9-14,19,22,29,33H,2,5-6,8,15-18,20-21H2,1H3,(H,36,41)(H,37,40)/t22-,29-,33-/m1/s1
PubChem CID	44288959
ChEMBL	CHEMBL42334
IUPHAR	N/A
BindingDB	50142370
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
EC50	600.0 nM	PMID15026036	BindingDB,ChEMBL
ED50	0.3 uM	PMID15026036	ChEMBL
IC50	110.0 nM	PMID15026036	BindingDB,ChEMBL

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