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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	SCHEMBL4888322
Molecular formula	C28H28F2N4O3
IUPAC name	N-[(3,4-difluorophenyl)methyl]-2-[(Z)-N-methoxy-C-methylcarbonimidoyl]-6-propan-2-yloxy-1-(pyridin-2-ylmethyl)indole-3-carboxamide
Molecular weight	506.554
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.9
Synonyms	CHEMBL3655458 (e)-n-(3,4-difluorobenzyl)-6-isopropoxy-2-(1-(methoxyimino)ethyl)-1-(pyridin-2-ylmethyl)-1h-indole-3-carboxamide US8524917, 72 BDBM101099 SCHEMBL4888328 AGADZVZMAMJOOU-DPNNOFEESA-N [ Show all ]
Inchi Key	AGADZVZMAMJOOU-OHUYPAJKSA-N
Inchi ID	InChI=1S/C28H28F2N4O3/c1-17(2)37-21-9-10-22-25(14-21)34(16-20-7-5-6-12-31-20)27(18(3)33-36-4)26(22)28(35)32-15-19-8-11-23(29)24(30)13-19/h5-14,17H,15-16H2,1-4H3,(H,32,35)/b33-18-
PubChem CID	59762325
ChEMBL	CHEMBL3655458
IUPHAR	N/A
BindingDB	101099
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
4681	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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