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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	CHEMBL95754
Molecular formula	C21H29N3O4S
IUPAC name	N-[4-[4-[2-hydroxy-3-(2-methylphenoxy)propyl]piperazin-1-yl]phenyl]methanesulfonamide
Molecular weight	419.54
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.2
Synonyms	BDBM50010842 N-{4-[4-(2-Hydroxy-3-o-tolyloxy-propyl)-piperazin-1-yl]-phenyl}-methanesulfonamide 1-[4-[4-(Methylsulfonylamino)phenyl]-1-piperazinyl]-3-(2-methylphenoxy)-2-propanol SCHEMBL8781167
Inchi Key	HHBPPZCDEAGVIX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H29N3O4S/c1-17-5-3-4-6-21(17)28-16-20(25)15-23-11-13-24(14-12-23)19-9-7-18(8-10-19)22-29(2,26)27/h3-10,20,22,25H,11-16H2,1-2H3
PubChem CID	14739901
ChEMBL	CHEMBL95754
IUPHAR	N/A
BindingDB	50010842
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
114789	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
114788	Beta-2 adrenergic receptor	P54833	ADRB2	Canis lupus familiaris (Dog)	415

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