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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	5,7-dichloroquinolin-8-yl furan-2-carboxylate
Molecular formula	C14H7Cl2NO3
IUPAC name	(5,7-dichloroquinolin-8-yl) furan-2-carboxylate
Molecular weight	308.114
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	4.3
Synonyms	42206-78-0 AKOS000597568 furan-2-carboxylic acid (5,7-dichloro-8-quinolyl) ester MolPort-001-843-384 Z1557399961 BRD-K60809631-001-10-2 HMS2507N05 SMR000116952 (5,7-dichloroquinolin-8-yl) furan-2-carboxylate AC1LEH0P cid_686057 MCULE-2358751101 ST4051388 5,7-dichloro-8-quinolyl 2-furoate BAS 01126140 Furan-2-carboxylic acid 5,7-dichloro-quinolin-8-yl ester Oprea1_261936 ZINC53211 KSC-8-118 SR-01000461464 2-furancarboxylic acid (5,7-dichloro-8-quinolinyl) ester AC1Q3I9U F0777-2309 MLS000526478 STK761685 5,7-dichloro-8-quinolyl furan-2-carboxylate BDBM64560 HMS1611F21 Oprea1_346671 [5,7-bis(chloranyl)quinolin-8-yl] furan-2-carboxylate A2154/0090479 CHEMBL1528425 KUC104582N SR-01000461464-1 [ Show all ]
Inchi Key	HIWSNFYJIAPVHH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H7Cl2NO3/c15-9-7-10(16)13(12-8(9)3-1-5-17-12)20-14(18)11-4-2-6-19-11/h1-7H
PubChem CID	686057
ChEMBL	CHEMBL1528425
IUPHAR	N/A
BindingDB	64560
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	15800.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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