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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	SMR000016668
Molecular formula	C22H20N6O4
IUPAC name	N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
Molecular weight	432.44
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.9
Synonyms	CHEMBL1352741 MLS000092736 AKOS001822894 N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-methylbenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide HMS2477C03 ZINC4099540 AB00415166-09 MLS000102474 N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(4-methylphenyl)methyl]-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide MCULE-3612861317 AC1MMLBK MolPort-007-653-656 [ Show all ]
Inchi Key	AIJJBHKIQPVLOQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20N6O4/c1-14-2-4-15(5-3-14)10-28-21-20(25-26-28)22(30)27(12-24-21)11-19(29)23-9-16-6-7-17-18(8-16)32-13-31-17/h2-8,12H,9-11,13H2,1H3,(H,23,29)
PubChem CID	3240534
ChEMBL	CHEMBL1352741
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
6280	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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