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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	MLS000689796
Molecular formula	C21H22N8O4
IUPAC name	2-methoxy-6-[(E)-[[4-(4-nitroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
Molecular weight	450.459
Hydrogen bond acceptor	11
Hydrogen bond donor	3
XlogP	4.2
Synonyms	A0421/0019470 STK747882 AKOS001719539 2-methoxy-6-[(E)-(2-{4-[(4-nitrophenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}hydrazinylidene)methyl]phenol AC1O18VV 2-methoxy-6-[[2-[4-(4-nitroanilino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one SMR000313400 AC1OBIEP CHEMBL3199324 [ Show all ]
Inchi Key	ANFFIQNEFKVPRN-LPYMAVHISA-N
Inchi ID	InChI=1S/C21H22N8O4/c1-33-17-6-4-5-14(18(17)30)13-22-27-20-24-19(25-21(26-20)28-11-2-3-12-28)23-15-7-9-16(10-8-15)29(31)32/h4-10,13,30H,2-3,11-12H2,1H3,(H2,23,24,25,26,27)/b22-13+
PubChem CID	135439746
ChEMBL	CHEMBL3199324
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1640.0 nM	PubChem BioAssay data set	ChEMBL

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