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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	161522-25-4
Molecular formula	C21H21FN2O3
IUPAC name	3-[4-(8-fluoro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]propanoic acid
Molecular weight	368.408
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	-0.4
Synonyms	3-[4-(8-fluoro-5H-[1]benzoxepino[4,3-b]pyridin-11-ylidene)piperidin-1-yl]propanoic acid CHEMBL146269 1-Piperidinepropanoicacid, 4-(8-fluoro[1]benzoxepino[4,3-b]pyridin-11(5H)-ylidene)- AC1MIWRC CTK0H7039 DTXSID30388964 [ Show all ]
Inchi Key	VNMVYPKXIOJAGS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H21FN2O3/c22-16-3-4-17-18(12-16)27-13-15-2-1-8-23-21(15)20(17)14-5-9-24(10-6-14)11-7-19(25)26/h1-4,8,12H,5-7,9-11,13H2,(H,25,26)
PubChem CID	3081353
ChEMBL	CHEMBL146269
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
359603	Histamine H1 receptor	P70174	Hrh1	Mus musculus (Mouse)	488

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