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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	MLS000833566
Molecular formula	C19H19F3N4O3
IUPAC name	4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carboxamide
Molecular weight	408.381
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.8
Synonyms	cid_2795892 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carboxamide ZINC4299423 HMS2810K15 AC1MDUF4 MolPort-002-888-778 CHEMBL1380541 MCULE-9353053829 BDBM72746 SMR000457087 [ Show all ]
Inchi Key	AFWZIJWCDZWCIS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19F3N4O3/c20-19(21,22)14-7-8-16(17(13-14)26(28)29)24-9-4-10-25(12-11-24)18(27)23-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12H2,(H,23,27)
PubChem CID	2795892
ChEMBL	CHEMBL1380541
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
4581	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
4582	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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