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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	(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 (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 [ 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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