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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS001019021
Molecular formula	C20H25Cl2N3O3
IUPAC name	N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide
Molecular weight	426.338
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.0
Synonyms	731776-11-7 MCULE-7614862110 Z30383862 AKOS034132305 N-tert-butyl-2-[[2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetyl]-ethylamino]acetamide CHEMBL1454171 N-tert-butyl-2-{2-[(5,7-dichloro-2-methylquinolin-8-yl)oxy]-N-ethylacetamido}acetamide ZINC3327201 BDBM80023 N-tert-butyl-2-[[2-[(5,7-dichloro-2-methyl-8-quinolinyl)oxy]-1-oxoethyl]-ethylamino]acetamide 2-[2-[5,7-bis(chloranyl)-2-methyl-quinolin-8-yl]oxyethanoyl-ethyl-amino]-N-tert-butyl-ethanamide cid_2442939 SMR000363357 AC1M7J81 MolPort-004-030-499 N-tert-butyl-2-[[2-[(5,7-dichloro-2-methyl-8-quinolyl)oxy]acetyl]-ethyl-amino]acetamide [ Show all ]
Inchi Key	HKJFGEXDSONTPW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25Cl2N3O3/c1-6-25(10-16(26)24-20(3,4)5)17(27)11-28-19-15(22)9-14(21)13-8-7-12(2)23-18(13)19/h7-9H,6,10-11H2,1-5H3,(H,24,26)
PubChem CID	2442939
ChEMBL	CHEMBL1454171
IUPHAR	N/A
BindingDB	80023
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	20600.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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