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GLASS

You can:

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	MLS002635606
Molecular formula	C22H15F3N2O2S
IUPAC name	2-[(Z)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
Molecular weight	428.429
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.3
Synonyms	CHEMBL1698464 2-[(Z)-1-(phenylsulfonyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole BDBM80062 cid_44601668 SMR001544541 2-[(Z)-1-besyl-2-[4-(trifluoromethyl)phenyl]vinyl]-1H-benzimidazole HMS3091N14 2-[(Z)-1-(benzenesulfonyl)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole [ Show all ]
Inchi Key	GFNKOHYICHFZDD-ZHZULCJRSA-N
Inchi ID	InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-12-10-15(11-13-16)14-20(30(28,29)17-6-2-1-3-7-17)21-26-18-8-4-5-9-19(18)27-21/h1-14H,(H,26,27)/b20-14-
PubChem CID	44601668
ChEMBL	CHEMBL1698464
IUPHAR	N/A
BindingDB	80062
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	22000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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