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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	CHEMBL68816
Molecular formula	C34H37FN4O6
IUPAC name	1-[1-[5-fluoro-2-methoxy-4-[1-(1-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-1-ium-5-yl)piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight	616.69
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	3.5
Synonyms	1-(1-{5-Fluoro-2-methoxy-4-[1-(1-oxy-6,7-dihydro-5H-[1]pyrindin-5-yl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one BDBM50064721
Inchi Key	BPKAODVGZHYQQN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C34H37FN4O6/c1-43-31-20-32(45-24-12-17-36(18-13-24)29-8-9-30-25(29)6-4-14-38(30)42)27(35)19-26(31)33(40)37-15-10-23(11-16-37)39-28-7-3-2-5-22(28)21-44-34(39)41/h2-7,14,19-20,23-24,29H,8-13,15-18,21H2,1H3
PubChem CID	10603858
ChEMBL	CHEMBL68816
IUPHAR	N/A
BindingDB	50064721
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
29644	Oxytocin receptor	P30559	OXTR	Homo sapiens (Human)	389

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