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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	SMR000178049
Molecular formula	C11H7F2NO3
IUPAC name	1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione
Molecular weight	239.178
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.0
Synonyms	1-[4-(difluoromethoxy)phenyl]azoline-2,5-dione BDBM79996 HMS2525D03 SR-01000367201-1 1-(4-(difluoromethoxy)phenyl)-1H-pyrrole-2,5-dione 68255-65-2 CBMicro_002628 MolPort-000-689-379 Z56802708 1-[4-(difluoromethoxy)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dione AKOS000569374 cid_886511 SMSF0018580 1-[4-(difluoromethoxy)phenyl]pyrrole-2,5-dione BIM-0002866.P001 MCULE-2526262106 ST50272509 1-(4-Difluoromethoxy-phenyl)-pyrrole-2,5-dione SCHEMBL8678075 ZINC459275 1-[4-(difluoromethoxy)phenyl]-3-pyrroline-2,5-quinone BAS 03571070 F1065-0202 SR-01000367201 1-[4-[bis(fluoranyl)methoxy]phenyl]pyrrole-2,5-dione CB04567 MLS000559359 STL019559 1-[4-(difluoromethoxy)phenyl]-1H-pyrrole-2,5-dione AC1LHFH4 CHEMBL1570845 [ Show all ]
Inchi Key	HJLVVPXYRWXDKO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H7F2NO3/c12-11(13)17-8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h1-6,11H
PubChem CID	886511
ChEMBL	CHEMBL1570845
IUPHAR	N/A
BindingDB	79996
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	18200.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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