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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.
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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	CHEMBL603701
Molecular formula	C23H22N2O5
IUPAC name	5,7-dihydroxy-4-methyl-3-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]chromen-2-one
Molecular weight	406.438
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.8
Synonyms	BDBM50307024 3-(4-cinnamoylpiperazin-1-yl)-5,7-dihydroxy-4-methyl-2H-chromen-2-one
Inchi Key	AHWLKLHCHKGPAS-BQYQJAHWSA-N
Inchi ID	InChI=1S/C23H22N2O5/c1-15-21-18(27)13-17(26)14-19(21)30-23(29)22(15)25-11-9-24(10-12-25)20(28)8-7-16-5-3-2-4-6-16/h2-8,13-14,26-27H,9-12H2,1H3/b8-7+
PubChem CID	45104422
ChEMBL	CHEMBL603701
IUPHAR	N/A
BindingDB	50307024
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	1570.0 nM	PMID20099827	BindingDB,ChEMBL

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