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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	CHEMBL83617
Molecular formula	C25H26FN3O2
IUPAC name	1-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3,4-dihydro-1H-isochromene-6-carboxamide
Molecular weight	419.5
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.0
Synonyms	AYGLZYIWAZBQDC-UHFFFAOYSA-N 1-{2-[4-(6-Fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethyl}-isochroman-6-carboxylic acid amide BDBM50145347 1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridin-1(2H)-yl)ethyl)-3,4-dihydro-1H-isochromene-6-carboxamide L021552 1-[2-(4-(6-Fluoro-1H-indol-3yl-)-3,6-dihydro-1(2H)-pyridinyl)ethyl]-3,4-dihydro-1H-2-benzopyran-6-carboxamide SCHEMBL6811345 [ Show all ]
Inchi Key	AYGLZYIWAZBQDC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
PubChem CID	9802187
ChEMBL	CHEMBL83617
IUPHAR	N/A
BindingDB	50145347
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
17429	5-hydroxytryptamine receptor 1B	P28222	HTR1B	Homo sapiens (Human)	390
17431	5-hydroxytryptamine receptor 1D	P28221	HTR1D	Homo sapiens (Human)	377
17428	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
17430	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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