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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.
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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	MLS001007696
Molecular formula	C19H19N3O2S
IUPAC name	N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide
Molecular weight	353.44
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.9
Synonyms	MolPort-004-043-525 ZINC6043967 752219-52-6 cpn-9 N-[4-(2-pyridinyl)-2-thiazolyl]-2-(2,4,6-trimethylphenoxy)acetamide AKOS034087662 MCULE-3543770856 SMR000384802 CHEMBL1534949 N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)acetamide HMS2702P14 N-[4-(2-pyridyl)thiazol-2-yl]-2-(2,4,6-trimethylphenoxy)acetamide BDBM80018 TL80090040 2-(mesityloxy)-N-(4-(pyridin-2-yl)thiazol-2-yl)acetamide cid_4011297 N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-2-(2,4,6-trimethylphenoxy)ethanamide AC1N1UIO KB-271985 SCHEMBL14988852 [ Show all ]
Inchi Key	GFIBBYANFXZDMS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N3O2S/c1-12-8-13(2)18(14(3)9-12)24-10-17(23)22-19-21-16(11-25-19)15-6-4-5-7-20-15/h4-9,11H,10H2,1-3H3,(H,21,22,23)
PubChem CID	4011297
ChEMBL	CHEMBL1534949
IUPHAR	N/A
BindingDB	80018
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	42400.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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