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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	4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one
Molecular formula	C11H11Cl3N2O3
IUPAC name	4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one
Molecular weight	325.57
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.9
Synonyms	317335-57-2 BDBM33111 MLS000590271 SR-01000078389 AC1MVVH5 HMS2553H15 UNM-0000306212 C11H11Cl3N2O3 MolPort-000-815-101 4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-butan-1-one CHEMBL1430795 SR-01000078389-1 AKOS001589395 MCULE-4519727251 UNM000011095301 4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)-1-butanone CBDivE_005031 SMR000217256 4,4,4-tris(chloranyl)-3-(methylamino)-1-(4-nitrophenyl)butan-1-one cid_3739292 STK836647 [ Show all ]
Inchi Key	FQIHYTIJLIRZDF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H11Cl3N2O3/c1-15-10(11(12,13)14)6-9(17)7-2-4-8(5-3-7)16(18)19/h2-5,10,15H,6H2,1H3
PubChem CID	3739292
ChEMBL	CHEMBL1430795
IUPHAR	N/A
BindingDB	33111
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	21500.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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