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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	5-nitro-2-{[3-(trifluoromethyl)phenyl]sulfonyl}pyridine
Molecular formula	C12H7F3N2O4S
IUPAC name	5-nitro-2-[3-(trifluoromethyl)phenyl]sulfonylpyridine
Molecular weight	332.253
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	2.7
Synonyms	KSC-8-98 BDBM66015 MLS-0394526.0001 5-nitro-2-[3-(trifluoromethyl)phenyl]sulfonylpyridine cid_901998 SMR000476527 AC1LICTR KUC104568N MLS001178404 HMS2812P13 ZINC481376 AJ-333/25006146 MCULE-3282409601 5-nitro-2-[3-(trifluoromethyl)phenyl]sulfonyl-pyridine CHEMBL1437683 MolPort-002-817-725 [ Show all ]
Inchi Key	HIIFGFBAURJFDP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H7F3N2O4S/c13-12(14,15)8-2-1-3-10(6-8)22(20,21)11-5-4-9(7-16-11)17(18)19/h1-7H
PubChem CID	901998
ChEMBL	CHEMBL1437683
IUPHAR	N/A
BindingDB	66015
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	10400.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	14600.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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