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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	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	(E)-4,6-dichloro-3-(3-oxo-3-(phenylamino)prop-1-enyl)-1H-indole-2-carboxylic acid 318X4QY113 Gavestinel [USAN:INN:BAN] UNII-318X4QY113 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((1E)-3-oxo-3-(phenylamino)-1-propenyl)- AC1O51WR D0O6AQ GV-150,526A 3-[(E)-3-(Phenylamino)-3-oxo-1-propenyl]-4,6-dichloro-1H-indole-2-carboxylic acid BRD-K49890030-236-01-6 SCHEMBL1721070 (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 WZBNEZWCNKUOSM-VOTSOKGWSA-N 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-(3-oxo-3-(phenylamino)-1-propenyl)-, (E)- AKOS027380831 D0R1SV GV-150526X (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) SCHEMBL678632 153436-22-7 D04308 GV 150526X ZINC3797383 3-(3-Oxo-3-anilino-1-propenyl)-4,6-dichloro-1H-indole-2-carboxylic acid BDBM50010475 DB06741 LS-82575 [ 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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