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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	CHEMBL42044
Molecular formula	C33H36Cl2N4O4S
IUPAC name	2-[(2R,5R)-2-(2,4-dichlorophenyl)-3-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-4-oxo-1,3-thiazolidin-5-yl]-N-[(3-phenylphenyl)methyl]acetamide
Molecular weight	655.635
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.8
Synonyms	BDBM50142411 2-[(2R,5R)-5-{[(Biphenyl-3-ylmethyl)-carbamoyl]-methyl}-2-(2,4-dichloro-phenyl)-4-oxo-thiazolidin-3-yl]-N-(3-morpholin-4-yl-propyl)-acetamide
Inchi Key	DAJVHWOALRPGOB-CYTLCNBWSA-N
Inchi ID	InChI=1S/C33H36Cl2N4O4S/c34-26-10-11-27(28(35)19-26)33-39(22-31(41)36-12-5-13-38-14-16-43-17-15-38)32(42)29(44-33)20-30(40)37-21-23-6-4-9-25(18-23)24-7-2-1-3-8-24/h1-4,6-11,18-19,29,33H,5,12-17,20-22H2,(H,36,41)(H,37,40)/t29-,33-/m1/s1
PubChem CID	44289062
ChEMBL	CHEMBL42044
IUPHAR	N/A
BindingDB	50142411
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1300.0 nM	PMID15026036	BindingDB,ChEMBL

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