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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	MLS000711749
Molecular formula	C19H25N3O
IUPAC name	N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]pyridine-4-carboxamide
Molecular weight	311.429
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.3
Synonyms	Isonicotinic acid [1-methyl-3-(2,6,6-trimethyl-cyclohex-1-enyl)-allylidene]-hydr N-[(Z)-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ylidene]amino]pyridine-4-carboxamide AKOS001693431 CHEMBL3195277 SMR000281516 BAS 00221003 HMS1617P19 AC1NTR9D MolPort-001-918-236 ZINC5296161 [ Show all ]
Inchi Key	DVRXMZOCRXBBNX-ZNOVWMRNSA-N
Inchi ID	InChI=1S/C19H25N3O/c1-14-6-5-11-19(3,4)17(14)8-7-15(2)21-22-18(23)16-9-12-20-13-10-16/h7-10,12-13H,5-6,11H2,1-4H3,(H,22,23)/b8-7+,21-15-
PubChem CID	5410134
ChEMBL	CHEMBL3195277
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	<66600.0 nM	PubChem BioAssay data set	ChEMBL

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