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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	SMR000002621
Molecular formula	C24H32N4O3S
IUPAC name	2-[[5-[(2,3-dimethylphenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
Molecular weight	456.605
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.3
Synonyms	AKOS000699053 CHEMBL1566562 2-[[5-[(2,3-dimethylphenoxy)methyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide MLS000031297 ASN 03799751 ZINC902870 HMS1680K06 AC1LCMC4 MLS000888380 2-[5-(2,3-Dimethyl-phenoxymethyl)-4-furan-2-ylmethyl-4H-[1,2,4]triazol-3-ylsulfanyl]-N,N-diisopropyl-acetamide HMS2456B03 [ Show all ]
Inchi Key	AHHFCAUYDSBGNI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H32N4O3S/c1-16(2)28(17(3)4)23(29)15-32-24-26-25-22(27(24)13-20-10-8-12-30-20)14-31-21-11-7-9-18(5)19(21)6/h7-12,16-17H,13-15H2,1-6H3
PubChem CID	652491
ChEMBL	CHEMBL1566562
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
5539	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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