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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	SMR000120908
Molecular formula	C14H8ClNO3
IUPAC name	(5-chloroquinolin-8-yl) furan-2-carboxylate
Molecular weight	273.672
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.6
Synonyms	(5-chloranylquinolin-8-yl) furan-2-carboxylate AC1LF9AZ Furan-2-carboxylic acid 5-chloro-quinolin-8-yl ester Oprea1_223423 302935-18-8 BDBM33451 IDI1_008885 ST50037868 5-chloroquinolin-8-yl 2-furoate cid_699693 MLS000528333 (5-chloroquinolin-8-yl) furan-2-carboxylate AKOS000649049 HMS1413O06 Oprea1_252591 IFLab1_000666 STL334924 5-chloroquinolin-8-yl furan-2-carboxylate furan-2-carboxylic acid (5-chloro-8-quinolyl) ester MolPort-000-423-080 2-furancarboxylic acid (5-chloro-8-quinolinyl) ester BAS 05597635 HMS2183J07 5-chloro-8-quinolyl furan-2-carboxylate CHEMBL1428258 MCULE-7345140657 ZINC78754 [ Show all ]
Inchi Key	ANWBJZCIAVOROI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H8ClNO3/c15-10-5-6-11(13-9(10)3-1-7-16-13)19-14(17)12-4-2-8-18-12/h1-8H
PubChem CID	699693
ChEMBL	CHEMBL1428258
IUPHAR	N/A
BindingDB	33451
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	<66600.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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