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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Uracil nucleotide/cysteinyl leukotriene receptor
Species	Homo sapiens (Human)
Gene	GPR17
Synonym	GPR17 P2Y-like receptor G-protein coupled receptor 17 R12 UDP/CysLT receptor uracil nucleotide/cysteinyl leukotriene receptor [ Show all ]
Disease	N/A
Length	367
Amino acid sequence	MSKRSWWAGSRKPPREMLKLSGSDSSQSMNGLEVAPPGLITNFSLATAEQCGQETPLENMLFASFYLLDFILALVGNTLALWLFIRDHKSGTPANVFLMHLAVADLSCVLVLPTRLVYHFSGNHWPFGEIACRLTGFLFYLNMYASIYFLTCISADRFLAIVHPVKSLKLRRPLYAHLACAFLWVVVAVAMAPLLVSPQTVQTNHTVVCLQLYREKASHHALVSLAVAFTFPFITTVTCYLLIIRSLRQGLRVEKRLKTKAVRMIAIVLAIFLVCFVPYHVNRSVYVLHYRSHGASCATQRILALANRITSCLTSLNGALDPIMYFFVAEKFRHALCNLLCGKRLKGPPPSFEGKTNESSLSAKSEL
UniProt	Q13304
Protein Data Bank	N/A
GPCR-HGmod model	Q13304
3D structure model	This predicted structure model is from GPCR-EXP Q13304.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL1075162
IUPHAR	88
DrugBank	N/A

Ligand

Name	Gavestinel
Molecular formula	C18H12Cl2N2O3
IUPAC name	3-[(E)-3-anilino-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylic acid
Molecular weight	375.205
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	4.4
Synonyms	WZBNEZWCNKUOSM-VOTSOKGWSA-N (E)3-[2-(phenylcarbamoyl)ethenyl]-4,6-dichloroindole-2-carboxylic acid 4,6-Dichloro-3-((E)-2-(phenylcarbamoyl)vinyl)indole-2-carboxylic acid CHEMBL44793 GV 150526 GV-150526X 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-(3-oxo-3-(phenylamino)-1-propenyl)-, (E)- AKOS027380831 D0R1SV SCHEMBL678632 (E)-4,6-Dichloro-3-(3-oxo-3-(phenylamino)-1-propenyl)-1H-indole-2-carboxylic acid 3-[(E)-3-anilino-3-oxoprop-1-enyl]-4,6-dichloro-1H-indole-2-carboxylic acid CHEBI:92867 Gavestinel (USAN/INN) ZINC3797383 153436-22-7 D04308 GV 150526X LS-82575 3-(3-Oxo-3-anilino-1-propenyl)-4,6-dichloro-1H-indole-2-carboxylic acid BDBM50010475 DB06741 UNII-318X4QY113 (E)-4,6-dichloro-3-(3-oxo-3-(phenylamino)prop-1-enyl)-1H-indole-2-carboxylic acid 318X4QY113 Gavestinel [USAN:INN:BAN] GV-150,526A 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((1E)-3-oxo-3-(phenylamino)-1-propenyl)- AC1O51WR D0O6AQ SCHEMBL1721070 3-[(E)-3-(Phenylamino)-3-oxo-1-propenyl]-4,6-dichloro-1H-indole-2-carboxylic acid BRD-K49890030-236-01-6 [ Show all ]
Inchi Key	WZBNEZWCNKUOSM-VOTSOKGWSA-N
Inchi ID	InChI=1S/C18H12Cl2N2O3/c19-10-8-13(20)16-12(17(18(24)25)22-14(16)9-10)6-7-15(23)21-11-4-2-1-3-5-11/h1-9,22H,(H,21,23)(H,24,25)/b7-6+
PubChem CID	6450546
ChEMBL	CHEMBL44793
IUPHAR	N/A
BindingDB	50010475
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	1630.0 nM	PMID24900835	BindingDB,ChEMBL

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