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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 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	SMR000006668
Molecular formula	C26H33N3O5
IUPAC name	N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxybenzamide
Molecular weight	467.566
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.6
Synonyms	ASN 06418295 MLS-0471966.0001 HMS2380H16 MLS000889290 AC1LCNUY MLS-0020556.0003 MLS-0471966.0002 MLS-0020556.0001 N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxybenzamide AKOS000755357 MLS-0020556.0004 CHEMBL1386274 MLS000029998 3,4,5-Trimethoxy-N-(9-phenylcarbamoylmethyl-9-aza-bicyclo[3.3.1]non-3-yl)-benzamide MLS-0020556.0002 [ Show all ]
Inchi Key	GBPZEGDRVCGMTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H33N3O5/c1-32-22-12-17(13-23(33-2)25(22)34-3)26(31)28-19-14-20-10-7-11-21(15-19)29(20)16-24(30)27-18-8-5-4-6-9-18/h4-6,8-9,12-13,19-21H,7,10-11,14-16H2,1-3H3,(H,27,30)(H,28,31)
PubChem CID	653186
ChEMBL	CHEMBL1386274
IUPHAR	N/A
BindingDB	N/A
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	<79000.0 nM	PubChem BioAssay data set	ChEMBL

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