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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	MLS000833548
Molecular formula	C18H17F5N4S
IUPAC name	N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide
Molecular weight	416.414
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.0
Synonyms	SMR000457069 N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide ZINC13656600 HMS2782N03 N1-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide AC1MDTWJ MolPort-002-888-591 SR-01000767790 CHEMBL1386344 N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide MCULE-8082044837 SCHEMBL17457020 BDBM97129 N-(2,4-difluorophenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbothioamide SR-01000767790-2 cid_2795668 N-[2,4-bis(fluoranyl)phenyl]-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide [ Show all ]
Inchi Key	AGZFUQYIGOLWBU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H17F5N4S/c19-13-3-4-15(14(20)10-13)25-17(28)27-7-1-6-26(8-9-27)16-5-2-12(11-24-16)18(21,22)23/h2-5,10-11H,1,6-9H2,(H,25,28)
PubChem CID	2795668
ChEMBL	CHEMBL1386344
IUPHAR	N/A
BindingDB	97129
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
5352	Galanin receptor type 3	O60755	GALR3	Homo sapiens (Human)	368
5353	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
463524	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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