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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	CHEMBL43573
Molecular formula	C27H27N3O5S
IUPAC name	methyl 3-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-2,4-dioxo-1H-[1]benzothiolo[3,2-d]pyrimidine-8-carboxylate
Molecular weight	505.589
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.0
Synonyms	3-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-2,4-dioxo-1,2,3,4-tetrahydro-benzo[4,5]thieno[3,2-d]pyrimidine-8-carboxylic acid methyl ester BDBM50087469 3-[2-[[(3aR,9bR)-6-Methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]isoindole]-2-yl]ethyl]-2,4-dioxo-1,2,3,4-tetrahydro[1]benzothieno[3,2-d]pyrimidine-8-carboxylic acid methyl ester
Inchi Key	IUVZIQRYAOYUSW-OXJNMPFZSA-N
Inchi ID	InChI=1S/C27H27N3O5S/c1-34-21-5-3-4-17-18(21)8-6-16-13-29(14-20(16)17)10-11-30-25(31)24-23(28-27(30)33)19-12-15(26(32)35-2)7-9-22(19)36-24/h3-5,7,9,12,16,20H,6,8,10-11,13-14H2,1-2H3,(H,28,33)/t16-,20+/m0/s1
PubChem CID	10554492
ChEMBL	CHEMBL43573
IUPHAR	N/A
BindingDB	50087469
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
142401	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
142400	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
142398	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561

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