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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.
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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	MLS002702136
Molecular formula	C16H10BrNO2
IUPAC name	(3Z)-5-bromo-3-phenacylidene-1H-indol-2-one
Molecular weight	328.165
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.1
Synonyms	3-Phenacyliden-5-brom-2-indolinon AKOS024363377 NSC294961 5-bromo-3-(2-oxo-2-phenylethylidene)-1H-benzo[d]azolin-2-one ZINC18101382 (3Z)-5-bromo-3-phenacylidene-1H-indol-2-one 70452-30-1 5-Bromo-3-(2-oxo-2-phenyl-ethylidene)-1,3-dihydro-indol-2-one BDBM50154618 SMR001565701 5-bromo-3-(2-oxo-2-phenylethylidene)indolin-2-one CHEMBL363491 2H-Indol-2-one,3-dihydro-3-(2-oxo-2-phenylethylidene)- AC1NUFV0 NSC-294961 5-Bromo-3-(2-oxo-2-phenylethylidene)- 1,3-dihydroindol-2-one CCG-35540 ST50994796 cid_5477132 [ Show all ]
Inchi Key	AZHMGLXVLSUTGY-LCYFTJDESA-N
Inchi ID	InChI=1S/C16H10BrNO2/c17-11-6-7-14-12(8-11)13(16(20)18-14)9-15(19)10-4-2-1-3-5-10/h1-9H,(H,18,20)/b13-9-
PubChem CID	5477132
ChEMBL	CHEMBL363491
IUPHAR	N/A
BindingDB	50154618
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	34700.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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