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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	CHEMBL313990
Molecular formula	C23H24ClN3O5S
IUPAC name	3-[1-[4-(5-chloro-1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperidin-4-yl]-1,3-benzoxazol-2-one
Molecular weight	489.971
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.6
Synonyms	L017608 3-{1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda6-benzo[d]isothiazol-2-yl)-butyl]-piperidin-4-yl}-3H-benzooxazol-2-one SCHEMBL8674332 BDBM50071647
Inchi Key	CAQYVHKVLYTXRT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H24ClN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2
PubChem CID	9913449
ChEMBL	CHEMBL313990
IUPHAR	N/A
BindingDB	50071647
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
37450	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
37451	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
37452	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
37453	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572

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