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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	CHEMBL105514
Molecular formula	C28H28FN3O6
IUPAC name	1-[1-[5-fluoro-2-methoxy-4-[(1R)-1-(1-oxidopyridin-1-ium-4-yl)ethoxy]benzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight	521.545
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.8
Synonyms	BDBM50072365 1-(1-{5-Fluoro-2-methoxy-4-[(R)-1-(1-oxy-pyridin-4-yl)-ethoxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
Inchi Key	CDEVBWPFXJVAJS-GOSISDBHSA-N
Inchi ID	InChI=1S/C28H28FN3O6/c1-18(19-7-13-31(35)14-8-19)38-26-16-25(36-2)22(15-23(26)29)27(33)30-11-9-21(10-12-30)32-24-6-4-3-5-20(24)17-37-28(32)34/h3-8,13-16,18,21H,9-12,17H2,1-2H3/t18-/m1/s1
PubChem CID	11756466
ChEMBL	CHEMBL105514
IUPHAR	N/A
BindingDB	50072365
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
39220	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389
39221	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388

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