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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 6
Species	Homo sapiens (Human)
Gene	CCR6
Synonym	DRY6 G-protein coupled receptor 29 GPR-CY4 GPR29 GPRCY4 LARC receptor DRY-6 DCCR2 CKR-L3 Chemokine receptor-like 3 CD196 CCR6 CCR-6 CC-CKR-6 C-C CKR-6 STRL22 [ Show all ]
Disease	N/A
Length	374
Amino acid sequence	MSGESMNFSDVFDSSEDYFVSVNTSYYSVDSEMLLCSLQEVRQFSRLFVPIAYSLICVFGLLGNILVVITFAFYKKARSMTDVYLLNMAIADILFVLTLPFWAVSHATGAWVFSNATCKLLKGIYAINFNCGMLLLTCISMDRYIAIVQATKSFRLRSRTLPRSKIICLVVWGLSVIISSSTFVFNQKYNTQGSDVCEPKYQTVSEPIRWKLLMLGLELLFGFFIPLMFMIFCYTFIVKTLVQAQNSKRHKAIRVIIAVVLVFLACQIPHNMVLLVTAANLGKMNRSCQSEKLIGYTKTVTEVLAFLHCCLNPVLYAFIGQKFRNYFLKILKDLWCVRRKYKSSGFSCAGRYSENISRQTSETADNDNASSFTM
UniProt	P51684
Protein Data Bank	N/A
GPCR-HGmod model	P51684
3D structure model	This predicted structure model is from GPCR-EXP P51684.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4423
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	MLS000705957
Molecular formula	C22H20N2O4
IUPAC name	9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione
Molecular weight	376.412
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.3
Synonyms	9-(3,6-dioxo-1,4-cyclohexadien-1-yl)-2-(2-phenylethyl)-7,8-dihydro-2H-pyrido[1,2-a]pyrazine-1,4(3H,6H)-dione BDBM42248 REGID_for_CID_998883 9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-phenethyl-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione cid_998883 SR-01000112808-1 AH-262/41702235 9-(3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione SMR000226463 9-[3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione HMS2608A11 9-(3,6-diketocyclohexa-1,4-dien-1-yl)-2-phenethyl-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-quinone AKOS001684448 Opera_ID_1850 9-(3,6-dioxocyclohexa-1,4-dien-1-yl)-2-(2-phenylethyl)-3,6,7,8-tetrahydropyrido[1,2-a]pyrazine-1,4-dione CHEMBL1522846 SR-01000112808 AC1LKUHZ MCULE-1744951399 [ Show all ]
Inchi Key	BUOLDNZXUBADKY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20N2O4/c25-16-8-9-19(26)18(13-16)17-7-4-11-24-20(27)14-23(22(28)21(17)24)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13H,4,7,10-12,14H2
PubChem CID	998883
ChEMBL	CHEMBL1522846
IUPHAR	N/A
BindingDB	42248
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	16700.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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