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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	SMR000027225
Molecular formula	C14H13N3O2S2
IUPAC name	1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone
Molecular weight	319.397
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.0
Synonyms	1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-thiazol-5-yl]ethanone ZINC4137736 862975-57-3 F0646-3456 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl]ethanone AKOS024591087 MLS000045468 1-{2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone CHEMBL1422976 SR-01000096697 AB00418267-04 HMS2386B06 1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-methyl-5-thiazolyl]ethanone BDBM37726 MolPort-003-038-827 SR-01000096697-1 cid_3241407 1-(2-((6-methoxybenzo[d]thiazol-2-yl)amino)-4-methylthiazol-5-yl)ethanone AC1MMNA0 MCULE-2941125585 [ Show all ]
Inchi Key	HNZGQEGSNWJQGB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H13N3O2S2/c1-7-12(8(2)18)21-13(15-7)17-14-16-10-5-4-9(19-3)6-11(10)20-14/h4-6H,1-3H3,(H,15,16,17)
PubChem CID	3241407
ChEMBL	CHEMBL1422976
IUPHAR	N/A
BindingDB	37726
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	14800.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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