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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	MLS001006036
Molecular formula	C19H16N2O3S
IUPAC name	2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide
Molecular weight	352.408
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.1
Synonyms	721406-83-3 MLS-0254641.0001 BDBM77791 MolPort-004-254-746 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)ethanamide 2-[(1-oxido-2-pyridin-1-iumyl)thio]-N-(2-phenoxyphenyl)acetamide cid_2342380 ZINC3224135 AC1M65TL SMR000349145 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-N-(2-phenoxyphenyl)acetamide 2-[(1-oxidopyridin-1-ium-2-yl)thio]-N-(2-phenoxyphenyl)acetamide HMS2722N22 AKOS017003580 MLS001006036-02 CHEMBL1571839 Z18546523 2-({[(2-phenoxyphenyl)carbamoyl]methyl}sulfanyl)pyridin-1-ium-1-olate [ Show all ]
Inchi Key	ADTUHYKLZVMHOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16N2O3S/c22-18(14-25-19-12-6-7-13-21(19)23)20-16-10-4-5-11-17(16)24-15-8-2-1-3-9-15/h1-13H,14H2,(H,20,22)
PubChem CID	2342380
ChEMBL	CHEMBL1571839
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
3079	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
3078	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
3077	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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