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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	MLS000057767
Molecular formula	C15H10ClN3O2
IUPAC name	4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
Molecular weight	299.714
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.2
Synonyms	HMS2166H13 SMR000061562 BDBM60214 MLS-0040589.0001 4-chloranyl-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide cid_805087 Oprea1_068177 AC1LFLUY HMS3322J07 ZINC314277 4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide F1374-0845 Oprea1_851308 AKOS001020587 MCULE-7317331559 CHEMBL1557648 MolPort-001-889-860 [ Show all ]
Inchi Key	YZLBFDGNVDNPIB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)
PubChem CID	805087
ChEMBL	CHEMBL1557648
IUPHAR	N/A
BindingDB	60214
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	11000.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL
IC50	20700.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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