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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	CHEMBL600019
Molecular formula	C14H16N2O4
IUPAC name	5,7-dihydroxy-4-methyl-3-piperazin-1-ylchromen-2-one
Molecular weight	276.292
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	0.8
Synonyms	BDBM50307056 5,7-Dihydroxy-4-methyl-3-(piperazin-1-yl)-2H-chromen-2-one
Inchi Key	CVUUNYJHTDVGNS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16N2O4/c1-8-12-10(18)6-9(17)7-11(12)20-14(19)13(8)16-4-2-15-3-5-16/h6-7,15,17-18H,2-5H2,1H3
PubChem CID	45104321
ChEMBL	CHEMBL600019
IUPHAR	N/A
BindingDB	50307056
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	4360.0 nM	PMID20099827	BindingDB,ChEMBL

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