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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	N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide
Molecular formula	C22H15FN2O2
IUPAC name	N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluorobenzamide
Molecular weight	358.372
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.9
Synonyms	REGID_for_CID_1326381 MCULE-5909737199 STK067682 BDBM79989 N-(4,5-diphenyl-1,3-oxazol-2-yl)-4-fluoranyl-benzamide cid_1326381 N-(4,5-diphenyloxazol-2-yl)-4-fluoro-benzamide SCHEMBL2162373 AC1LP5BL MLS000575795 Z56851772 Oprea1_498832 444065-30-9 HMS2341B09 SMR000196830 AKOS001058400 MolPort-000-801-651 ZINC1156990 CHEMBL1568277 N-(4,5-diphenyl-2-oxazolyl)-4-fluorobenzamide [ Show all ]
Inchi Key	ASMXBNYBIJRDSH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H15FN2O2/c23-18-13-11-17(12-14-18)21(26)25-22-24-19(15-7-3-1-4-8-15)20(27-22)16-9-5-2-6-10-16/h1-14H,(H,24,25,26)
PubChem CID	1326381
ChEMBL	CHEMBL1568277
IUPHAR	N/A
BindingDB	79989
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	31900.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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