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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	CHEMBL26118
Molecular formula	C16H21NO
IUPAC name	(3aR,9bS)-9-methoxy-3-prop-2-enyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
Molecular weight	243.35
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	3.2
Synonyms	(3aS,9bR) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole (3aR,9bS) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole (Recemic) 3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole BDBM50034330 (3aR,9bS)-3-Allyl-9-methoxy-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole SCHEMBL8901030 2,3,3abeta,4,5,9bbeta-Hexahydro-3-allyl-9-methoxy-1H-benz[e]indole [ Show all ]
Inchi Key	VRRJFCMGNMFNOE-ZIAGYGMSSA-N
Inchi ID	InChI=1S/C16H21NO/c1-3-10-17-11-9-13-14(17)8-7-12-5-4-6-15(18-2)16(12)13/h3-6,13-14H,1,7-11H2,2H3/t13-,14-/m1/s1
PubChem CID	10105844
ChEMBL	CHEMBL26118
IUPHAR	N/A
BindingDB	50034330
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
362618	5-hydroxytryptamine receptor 1A	Q64264	Htr1a	Mus musculus (Mouse)	421
362619	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
362616	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
362617	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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