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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL601424
Molecular formula	C21H20N2O5
IUPAC name	3-(4-benzoylpiperazin-1-yl)-5,7-dihydroxy-4-methylchromen-2-one
Molecular weight	380.4
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.4
Synonyms	BDBM50307027 3-(4-benzoylpiperazin-1-yl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
Inchi Key	DBBHQQBNEWROEL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H20N2O5/c1-13-18-16(25)11-15(24)12-17(18)28-21(27)19(13)22-7-9-23(10-8-22)20(26)14-5-3-2-4-6-14/h2-6,11-12,24-25H,7-10H2,1H3
PubChem CID	45104425
ChEMBL	CHEMBL601424
IUPHAR	N/A
BindingDB	50307027
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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