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GLASS

You can:

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	4-methylphenyl 5-nitro-2-pyridinyl sulfone
Molecular formula	C12H10N2O4S
IUPAC name	2-(4-methylphenyl)sulfonyl-5-nitropyridine
Molecular weight	278.282
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.2
Synonyms	5-nitro-2-tosyl-pyridine CHEMBL1431608 MLS001165624 91974-22-0 KS-00001UU2 SMR000550074 2-(4-methylbenzenesulfonyl)-5-nitropyridine BDBM54428 MCULE-3870617590 2R-0608 5-Nitro-2-tosylpyridine cid_1472329 MolPort-002-863-276 AC1LSVZK ksc-8-109 ZINC1383717 2-(4-methylphenyl)sulfonyl-5-nitro-pyridine MLS-0319535.0001 HMS2885A11 Oprea1_797223 AKOS005086308 KUC104578N 2-(4-methylphenyl)sulfonyl-5-nitropyridine [ Show all ]
Inchi Key	POLPNUJAOPJLTN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H10N2O4S/c1-9-2-5-11(6-3-9)19(17,18)12-7-4-10(8-13-12)14(15)16/h2-8H,1H3
PubChem CID	1472329
ChEMBL	CHEMBL1431608
IUPHAR	N/A
BindingDB	54428
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	19400.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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