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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	CHEMBL3394262
Molecular formula	C40H48N14O6
IUPAC name	4-[2-[3-[[4-[4-[2-[[7-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl]amino]ethyl]phenoxy]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]propyl-propylamino]ethyl]-1,3-dihydroindol-2-one;formic acid
Molecular weight	820.916
Hydrogen bond acceptor	18
Hydrogen bond donor	5
XlogP	None
Synonyms	BDBM50059848
Inchi Key	AAPKSMKRZNHCHJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C39H46N14O4.CH2O2/c1-2-17-51(19-14-27-6-3-7-30-29(27)25-32(54)43-30)18-5-15-41-36-46-37(52-20-23-55-24-21-52)49-39(48-36)57-28-11-9-26(10-12-28)13-16-42-35-45-34(40)53-38(47-35)44-33(50-53)31-8-4-22-56-31;2-1-3/h3-4,6-12,22H,2,5,13-21,23-25H2,1H3,(H,43,54)(H,41,46,48,49)(H3,40,42,44,45,47,50);1H,(H,2,3)
PubChem CID	118726006
ChEMBL	CHEMBL3394262
IUPHAR	N/A
BindingDB	50059848
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
441688	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
441687	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443

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