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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	Gavestinel [USAN:INN:BAN] UNII-318X4QY113 (E)-4,6-dichloro-3-(3-oxo-3-(phenylamino)prop-1-enyl)-1H-indole-2-carboxylic acid 318X4QY113 D0O6AQ GV-150,526A 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((1E)-3-oxo-3-(phenylamino)-1-propenyl)- AC1O51WR SCHEMBL1721070 3-[(E)-3-(Phenylamino)-3-oxo-1-propenyl]-4,6-dichloro-1H-indole-2-carboxylic acid BRD-K49890030-236-01-6 CHEMBL44793 GV 150526 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 D0R1SV GV-150526X 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-(3-oxo-3-(phenylamino)-1-propenyl)-, (E)- AKOS027380831 CHEBI:92867 Gavestinel (USAN/INN) 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 D04308 GV 150526X ZINC3797383 153436-22-7 DB06741 LS-82575 3-(3-Oxo-3-anilino-1-propenyl)-4,6-dichloro-1H-indole-2-carboxylic acid BDBM50010475 [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
385970	Uracil nucleotide/cysteinyl leukotriene receptor	Q13304	GPR17	Homo sapiens (Human)	367

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