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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	SMR000195626
Molecular formula	C19H15ClN2O3S
IUPAC name	5-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]furan-2-carboxamide
Molecular weight	386.85
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	5.2
Synonyms	cid_2905078 STK172790 5-(4-chlorophenyl)-N-[(2-hydroxy-5-methyl-phenyl)thiocarbamoyl]-2-furamide AKOS003255778 MLS000574038 5-(4-chlorophenyl)-N-[(5-methyl-2-oxidanyl-phenyl)carbamothioyl]furan-2-carboxamide Oprea1_857696 AB00111903-01 MCULE-8044483442 ZINC4703834 5-(4-chlorophenyl)-N-[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]-2-furancarboxamide BDBM79987 MLS003905466 5-(4-chlorophenyl)-N-{[(2-hydroxy-5-methylphenyl)amino]carbonothioyl}-2-furamide CHEMBL1366012 AC1MEL3P MLS-0317639.0001 5-(4-chlorophenyl)-N-[(2-hydroxy-5-methylphenyl)carbamothioyl]furan-2-carboxamide BRD-K95288208-001-09-3 MolPort-002-211-200 [ Show all ]
Inchi Key	NCJZANHDHLKJNX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H15ClN2O3S/c1-11-2-7-15(23)14(10-11)21-19(26)22-18(24)17-9-8-16(25-17)12-3-5-13(20)6-4-12/h2-10,23H,1H3,(H2,21,22,24,26)
PubChem CID	2905078
ChEMBL	CHEMBL1366012
IUPHAR	N/A
BindingDB	79987
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5220.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	18400.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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