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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	3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
Molecular formula	C17H18N2O2S
IUPAC name	3-ethoxy-N-[(3-methylphenyl)carbamothioyl]benzamide
Molecular weight	314.403
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.2
Synonyms	STK059197 CHEMBL1535150 AB00110106-01 MCULE-3169835534 Oprea1_149532 3-ethoxy-N-(m-tolylthiocarbamoyl)benzamide BDBM43874 ZINC454876 3-ethoxy-N-{[(3-methylphenyl)amino]carbonothioyl}benzamide cid_883436 AC1LH8KR MLS000680841 SMR000269500 3-ethoxy-N-[(3-methylanilino)-sulfanylidenemethyl]benzamide HMS2576E11 AKOS003220660 MolPort-002-207-787 [ Show all ]
Inchi Key	HCAUFUQQPBGKTA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H18N2O2S/c1-3-21-15-9-5-7-13(11-15)16(20)19-17(22)18-14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3,(H2,18,19,20,22)
PubChem CID	883436
ChEMBL	CHEMBL1535150
IUPHAR	N/A
BindingDB	43874
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	59100.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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