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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	CHEMBL40754
Molecular formula	C24H24N4O3S
IUPAC name	5-[2-[(3aR,9bR)-6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl]ethyl]-8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Molecular weight	448.541
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	BDBM50087467 xv2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,7-triaza-fluorene-1,3-dione
Inchi Key	DTGRVNYCCXSWCG-KBXCAEBGSA-N
Inchi ID	InChI=1S/C24H24N4O3S/c1-31-19-4-2-3-15-16(19)6-5-14-12-27(13-18(14)15)9-10-28-23(29)22-21(26-24(28)30)17-7-8-25-11-20(17)32-22/h2-4,7-8,11,14,18H,5-6,9-10,12-13H2,1H3,(H,26,30)/t14-,18+/m0/s1
PubChem CID	10411384
ChEMBL	CHEMBL40754
IUPHAR	N/A
BindingDB	50087467
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
68312	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
68313	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
68315	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561

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