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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	AC1LAJEP
Molecular formula	C39H44ClN5O4
IUPAC name	benzyl N-[1-[3-(3-chlorophenyl)-4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-methylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Molecular weight	682.262
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	7.2
Synonyms	Carbamic acid, [1-[3-(3-chlorophenyl)-4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-1-imidazolidinyl]-3-methylbutyl]-4-piperidinyl]2-propenyl-, phenylmethyl ester benzyl N-allyl-N-[1-[3-(3-chlorophenyl)-4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxo-imidazolidin-1-yl]-3-methyl-butyl]-4-piperidyl]carbamate (5R)-3-[2-(3-Chlorophenyl)-2-methyl-4-[4-[allyl(benzyloxycarbonyl)amino]piperidino]butyl]-5beta-(1H-indole-3-ylmethyl)-2,4-imidazolidinedione benzyl N-[1-[3-(3-chlorophenyl)-4-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-3-methylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate
Inchi Key	DAVRJXPJVSQXKU-QQKHLPPFSA-N
Inchi ID	InChI=1S/C39H44ClN5O4/c1-3-19-44(38(48)49-26-28-10-5-4-6-11-28)32-16-20-43(21-17-32)22-18-39(2,30-12-9-13-31(40)24-30)27-45-36(46)35(42-37(45)47)23-29-25-41-34-15-8-7-14-33(29)34/h3-15,24-25,32,35,41H,1,16-23,26-27H2,2H3,(H,42,47)/t35-,39?/m1/s1
PubChem CID	489344
ChEMBL	CHEMBL107439
IUPHAR	N/A
BindingDB	N/A
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
IC50	<1000.0 nM	PMID11720851	ChEMBL

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