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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	CHEMBL8171
Molecular formula	C20H26N2O5S
IUPAC name	methyl 2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-(thiophene-2-carbonylamino)benzoate
Molecular weight	406.497
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	2.5
Synonyms	SCHEMBL10924216
Inchi Key	JUMVVVACUIUKIE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H26N2O5S/c1-20(2,3)21-11-14(23)12-27-16-8-7-13(10-15(16)19(25)26-4)22-18(24)17-6-5-9-28-17/h5-10,14,21,23H,11-12H2,1-4H3,(H,22,24)
PubChem CID	13306519
ChEMBL	CHEMBL8171
IUPHAR	N/A
BindingDB	N/A
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
160247	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
160248	Beta-2 adrenergic receptor	P54833	ADRB2	Canis lupus familiaris (Dog)	415

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