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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	ethyl 2-(acetylamino)-4,5-dinitrobenzoate
Molecular formula	C11H11N3O7
IUPAC name	ethyl 2-acetamido-4,5-dinitrobenzoate
Molecular weight	297.223
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.5
Synonyms	2-acetamido-4,5-dinitro-benzoic acid ethyl ester cid_4104905 SMR000224624 AC-907/34129017 ethyl 2-acetamido-4,5-dinitrobenzoate MLS000698400 2-acetamido-4,5-dinitrobenzoic acid ethyl ester ZINC4114420 AC1N30FU HMS2529P09 CHEMBL1447697 MolPort-002-799-575 ethyl 2-acetamido-4,5-dinitro-benzoate BDBM42069 MCULE-9943202771 [ Show all ]
Inchi Key	KYIOKAUDHIQKBS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H11N3O7/c1-3-21-11(16)7-4-9(13(17)18)10(14(19)20)5-8(7)12-6(2)15/h4-5H,3H2,1-2H3,(H,12,15)
PubChem CID	4104905
ChEMBL	CHEMBL1447697
IUPHAR	N/A
BindingDB	42069
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	24100.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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