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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	CHEMBL604333
Molecular formula	C21H23F3N2O4
IUPAC name	6-hydroxy-8-[1-hydroxy-2-[[2-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl]-4H-1,4-benzoxazin-3-one
Molecular weight	424.42
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.7
Synonyms	BDBM50306807 rac-6-hydroxy-8-(1-hydroxy-2-(2-methyl-1-(3-(trifluoromethyl)phenyl)propan-2-ylamino)ethyl)-2H-benzo[b][1,4]oxazin-3(4H)-one 8-{2-[1,1-dimethyl-2-(3-trifluoromethyl-phenyl)-ethylamino]-1-hydroxy-ethyl}-6-hydroxy-4H-benzo[1,4]oxazin-3-one SCHEMBL1720822 AOBQGHZAKUAZSB-UHFFFAOYSA-N
Inchi Key	AOBQGHZAKUAZSB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23F3N2O4/c1-20(2,9-12-4-3-5-13(6-12)21(22,23)24)25-10-17(28)15-7-14(27)8-16-19(15)30-11-18(29)26-16/h3-8,17,25,27-28H,9-11H2,1-2H3,(H,26,29)
PubChem CID	46232856
ChEMBL	CHEMBL604333
IUPHAR	N/A
BindingDB	50306807
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
10105	Beta-1 adrenergic receptor	P08588	ADRB1	Homo sapiens (Human)	477
10106	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413

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