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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	SCHEMBL246621
Molecular formula	C29H29N5O3S
IUPAC name	3-[[3,5-dicyano-4-[4-(2-hydroxyethoxy)phenyl]-6-pyrrolidin-1-ylpyridin-2-yl]sulfanylmethyl]-N-ethylbenzamide
Molecular weight	527.643
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	4.1
Synonyms	US9187428, 98 CHEMBL3913385 BDBM191870
Inchi Key	AFDZAPUKPRXNJZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H29N5O3S/c1-2-32-28(36)22-7-5-6-20(16-22)19-38-29-25(18-31)26(21-8-10-23(11-9-21)37-15-14-35)24(17-30)27(33-29)34-12-3-4-13-34/h5-11,16,35H,2-4,12-15,19H2,1H3,(H,32,36)
PubChem CID	66631991
ChEMBL	CHEMBL3913385
IUPHAR	N/A
BindingDB	191870
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
517337	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
517338	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
517336	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332

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