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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	SMR000002891
Molecular formula	C22H25FN4O2S
IUPAC name	N-benzyl-N-tert-butyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
Molecular weight	428.526
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.2
Synonyms	N-Benzyl-N-tert-butyl-2-{5-[(4-fluoro-phenylamino)-methyl]-[1,3,4]oxadiazol-2-ylsulfanyl}-acetamide HMS2454J10 SR-01000331745-1 MLS001385484 AKOS000804482 CHEMBL1362966 MCULE-1120723268 ZINC905495 N-benzyl-N-tert-butyl-2-[[5-[(4-fluoroanilino)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide ASN 04045833 SR-01000331745 HMS1689J09 MLS000075937 AC1LCSXC [ Show all ]
Inchi Key	ABUPYAZYDUYJAW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25FN4O2S/c1-22(2,3)27(14-16-7-5-4-6-8-16)20(28)15-30-21-26-25-19(29-21)13-24-18-11-9-17(23)10-12-18/h4-12,24H,13-15H2,1-3H3
PubChem CID	655520
ChEMBL	CHEMBL1362966
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
1198	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
1197	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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