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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	MLS001122797
Molecular formula	C23H26ClN3O4S
IUPAC name	1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide
Molecular weight	475.988
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)-3-piperidinecarboxamide cid_20901955 AKOS001932225 1-(1-acetyl-2-methyl-indolin-5-yl)sulfonyl-N-(3-chlorophenyl)nipecotamide N-(3-chlorophenyl)-1-[(1-ethanoyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxamide 1-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide HMS2928F05 AKOS021595074 MLS003880946 1-[(1-acetyl-2-methyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-N-(3-chlorophenyl)piperidine-3-carboxamide CHEMBL1421589 SMR000628395 MCULE-4951017914 BDBM80041 MolPort-007-742-787 [ Show all ]
Inchi Key	HUAWISZIUATZGS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26ClN3O4S/c1-15-11-18-12-21(8-9-22(18)27(15)16(2)28)32(30,31)26-10-4-5-17(14-26)23(29)25-20-7-3-6-19(24)13-20/h3,6-9,12-13,15,17H,4-5,10-11,14H2,1-2H3,(H,25,29)
PubChem CID	20901955
ChEMBL	CHEMBL1421589
IUPHAR	N/A
BindingDB	80041
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	30800.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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