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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	SMR000647258
Molecular formula	C28H27N5O5
IUPAC name	N-[2-(3,4-dimethoxyphenyl)ethyl]-7-(furan-2-ylmethyl)-6-imino-11-methyl-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Molecular weight	513.554
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	2.4
Synonyms	848752-37-4 MolPort-002-623-027 STK637027 MLS001139261 AC1MMS4M N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(furan-2-ylmethyl)-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide CHEMBL1525074 ZINC101043548 MLS003903623 AKOS005569103 MCULE-3819785063 [ Show all ]
Inchi Key	APKOQCUSZOFHDO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C28H27N5O5/c1-17-6-4-12-32-25(17)31-26-21(28(32)35)15-20(24(29)33(26)16-19-7-5-13-38-19)27(34)30-11-10-18-8-9-22(36-2)23(14-18)37-3/h4-9,12-15,29H,10-11,16H2,1-3H3,(H,30,34)
PubChem CID	3265869
ChEMBL	CHEMBL1525074
IUPHAR	N/A
BindingDB	N/A
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
11087	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413

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