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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	MLS001125716
Molecular formula	C18H14ClN3O2
IUPAC name	2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide
Molecular weight	339.779
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.8
Synonyms	2-(4-chlorophenoxy)-N-[(E)-quinolin-8-ylmethylideneamino]acetamide SR-01000219116-1 CHEMBL3195347 SMR000659172 AC1OC8U2 SR-01000219116 MolPort-002-118-051 [ Show all ]
Inchi Key	DQOCSGNZPMUZQC-SRZZPIQSSA-N
Inchi ID	InChI=1S/C18H14ClN3O2/c19-15-6-8-16(9-7-15)24-12-17(23)22-21-11-14-4-1-3-13-5-2-10-20-18(13)14/h1-11H,12H2,(H,22,23)/b21-11+
PubChem CID	6897199
ChEMBL	CHEMBL3195347
IUPHAR	N/A
BindingDB	N/A
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	17200.0 nM	PubChem BioAssay data set	ChEMBL

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