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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	MLS000374486
Molecular formula	C20H14N2O3S2
IUPAC name	N-(3-anilino-4-oxonaphthalen-1-ylidene)thiophene-2-sulfonamide
Molecular weight	394.463
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.3
Synonyms	AC1M5WHX SMR000242402 HMS2545G11 Z56891884 N-(3-anilino-4-oxonaphthalen-1-ylidene)thiophene-2-sulfonamide AKOS034463960 SR-01000718339 MCULE-3790816342 ZINC100478429 N-[4-oxo-3-(phenylamino)-1,4-dihydronaphthalen-1-ylidene]thiophene-2-sulfonamide EU-0081760 SR-01000718339-2 ZINC12511058 [ Show all ]
Inchi Key	HBKSVQFOBQYYEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H14N2O3S2/c23-20-16-10-5-4-9-15(16)17(22-27(24,25)19-11-6-12-26-19)13-18(20)21-14-7-2-1-3-8-14/h1-13,21H
PubChem CID	2362025
ChEMBL	N/A
IUPHAR	N/A
BindingDB	47953
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	34800.0 nM	N/A	BindingDB

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