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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	CHEMBL328195
Molecular formula	C25H31N3O4S
IUPAC name	(3R,3aS)-7,8-dimethoxy-3-[[4-[(E)-3-thiophen-3-ylbut-2-enyl]piperazin-1-yl]methyl]-3a,4-dihydro-3H-chromeno[4,3-c][1,2]oxazole
Molecular weight	469.6
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.9
Synonyms	BDBM50146513 (3R,3aS)-7,8-Dimethoxy-3-[4-(3-thiophen-3-yl-but-2-enyl)-piperazin-1-ylmethyl]-3a,4-dihydro-3H-chromeno[4,3-c]isoxazole
Inchi Key	BSOFNSGMVOMVLM-MWXPQOEXSA-N
Inchi ID	InChI=1S/C25H31N3O4S/c1-17(18-5-11-33-16-18)4-6-27-7-9-28(10-8-27)14-24-20-15-31-21-13-23(30-3)22(29-2)12-19(21)25(20)26-32-24/h4-5,11-13,16,20,24H,6-10,14-15H2,1-3H3/b17-4+/t20-,24-/m0/s1
PubChem CID	44330369
ChEMBL	CHEMBL328195
IUPHAR	N/A
BindingDB	50146513
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
31837	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
31838	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462

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