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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	NSC686349
Molecular formula	C16H12O9S5
IUPAC name	tetramethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate
Molecular weight	508.563
Hydrogen bond acceptor	14
Hydrogen bond donor	0
XlogP	2.1
Synonyms	MLS002702363 tetramethyl 3''-oxidanylidenespiro[1,3-dithiole-2,7''-[1,2]dithiolo[4,3-b]thiopyran]-4,5,5'',6''-tetracarboxylate CCG-36148 NSC-686349 tetramethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate 3''-oxospiro[1,3-dithiole-2,7''-dithiolo[4,3-b]thiopyran]-4,5,5'',6''-tetracarboxylic acid tetramethyl ester cid_389753 Spiro[1,3-dithiole-2,7'(3'H)-[1,2]dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylic acid, 3'-oxo-, tetramethyl ester AC1L8YMG NCI60_031078 tetramethyl 3''-oxospiro[1,3-dithiole-2,7''-dithiolo[4,3-b]thiopyran]-4,5,5'',6''-tetracarboxylate 3-Oxospiro[4-thia-3H-1,2-benzodithiol-7(4H),2'-[1,3]dithiol]-4',5,5',6-tetracarboxylic acid tetramethyl ester CTK8D0161 Spiro[1,7'(3'H)-[1,2]dithiolo[4,3-b]- thiopyran]-4,5,5',6'-tetracarboxylic acid, 3'-oxo-, tetramethyl ester BDBM80083 NCIMech_000774 tetramethyl 3'-oxo-3'h-spiro[1,3-dithiole-2,7'-[1,2]dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate 3''-ketospiro[1,3-dithiole-2,7''-dithiolo[4,3-b]thiopyran]-4,5,5'',6''-tetracarboxylic acid tetramethyl ester CHEMBL1708074 SMR001565925 [ Show all ]
Inchi Key	HAODYRSOCXZKBJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H12O9S5/c1-22-11(17)5-6(12(18)23-2)26-9-10(29-30-15(9)21)16(5)27-7(13(19)24-3)8(28-16)14(20)25-4/h1-4H3
PubChem CID	389753
ChEMBL	CHEMBL1708074
IUPHAR	N/A
BindingDB	80083
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	28500.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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