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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	MLS001029500
Molecular formula	C19H16N2O5
IUPAC name	N-(2,2-dimethoxyethyl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaene-12-carboxamide
Molecular weight	352.346
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.0
Synonyms	AKOS005463357 MolPort-002-559-633 CHEMBL1496231 SMR000425485 6-Oxo-6H-anthra[1,9-cd]isoxazole-3-carboxylic acid (2,2-dimethoxy-ethyl)-amide MCULE-8933250056 STK530558 BDBM51236 N-(2,2-dimethoxyethyl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazole-3-carboxamide cid_1916369 SR-01000759955 AC1LZ8NG ZINC2295969 Oprea1_634990 HMS2812H20 SR-01000759955-2 [ Show all ]
Inchi Key	HGMKBBRZPVVVKX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16N2O5/c1-24-14(25-2)9-20-19(23)13-8-7-12-15-16(13)21-26-18(15)11-6-4-3-5-10(11)17(12)22/h3-8,14H,9H2,1-2H3,(H,20,23)
PubChem CID	1916369
ChEMBL	CHEMBL1496231
IUPHAR	N/A
BindingDB	51236
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	28000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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