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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	CHEMBL3342873
Molecular formula	C20H31N3O5S
IUPAC name	3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-methylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
Molecular weight	425.544
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	1.1
Synonyms	BDBM50099472
Inchi Key	BWIJSERURKMDCF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H31N3O5S/c1-26-19-6-4-3-5-18(19)22-13-11-21(12-14-22)15-17-16-27-20(28-17)7-9-23(10-8-20)29(2,24)25/h3-6,17H,7-16H2,1-2H3
PubChem CID	118716720
ChEMBL	CHEMBL3342873
IUPHAR	N/A
BindingDB	50099472
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
443022	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
443024	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
443027	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
443023	Alpha-1B adrenergic receptor	P15823	Adra1b	Rattus norvegicus (Rat)	515
443028	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
443025	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
443026	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572

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