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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	SMR000072917
Molecular formula	C25H22N4O3S
IUPAC name	N-dibenzofuran-3-yl-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Molecular weight	458.536
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.8
Synonyms	MLS000089189 STK120875 AO-080/41816825 N-(dibenzo[b,d]furan-3-yl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide HMS2443G22 N-dibenzo[b,d]furan-3-yl-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}thio)acetamide AC1M3KRL MLS002541668 VU0175262-5 N-dibenzofuran-3-yl-2-[[4-methyl-5-[(2-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide MCULE-9084339393 AKOS003352081 MolPort-002-252-879 ZINC2835374 CHEMBL1339113 N-dibenzo[b,d]furan-3-yl-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ Show all ]
Inchi Key	AFOUUUKRDLZLOC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H22N4O3S/c1-16-7-3-5-9-20(16)31-14-23-27-28-25(29(23)2)33-15-24(30)26-17-11-12-19-18-8-4-6-10-21(18)32-22(19)13-17/h3-13H,14-15H2,1-2H3,(H,26,30)
PubChem CID	2192080
ChEMBL	CHEMBL1339113
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
4366	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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