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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	CHEMBL291839
Molecular formula	C21H23N3O3S
IUPAC name	3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
Molecular weight	397.493
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.8
Synonyms	3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione BDBM50100227 3-[2-(6-Methoxy-2,3,3abeta,4,5,9bbeta-hexahydro-1H-benzo[e]isoindole-2-yl)ethyl]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Inchi Key	CAEZRWQRXPFXAO-XJKSGUPXSA-N
Inchi ID	InChI=1S/C21H23N3O3S/c1-27-18-4-2-3-14-15(18)6-5-13-11-23(12-16(13)14)8-9-24-20(25)19-17(7-10-28-19)22-21(24)26/h2-4,7,10,13,16H,5-6,8-9,11-12H2,1H3,(H,22,26)/t13-,16+/m0/s1
PubChem CID	10692195
ChEMBL	CHEMBL291839
IUPHAR	N/A
BindingDB	50100227
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
37106	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
37105	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
37104	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561

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