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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	CHEMBL3342872
Molecular formula	C23H31N3O5S2
IUPAC name	3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-8-thiophen-2-ylsulfonyl-1,4-dioxa-8-azaspiro[4.5]decane
Molecular weight	493.637
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	2.7
Synonyms	BDBM50099462
Inchi Key	BHUCMEWUSAGOPR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H31N3O5S2/c1-29-21-6-3-2-5-20(21)25-14-12-24(13-15-25)17-19-18-30-23(31-19)8-10-26(11-9-23)33(27,28)22-7-4-16-32-22/h2-7,16,19H,8-15,17-18H2,1H3
PubChem CID	118716719
ChEMBL	CHEMBL3342872
IUPHAR	N/A
BindingDB	50099462
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
442604	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
442606	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
442607	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
442603	Alpha-1B adrenergic receptor	P15823	Adra1b	Rattus norvegicus (Rat)	515
442605	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
442602	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572
442608	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561

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