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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	MLS000073232
Molecular formula	C18H25N3O3S
IUPAC name	1-(2,5-dimethoxyphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Molecular weight	363.476
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.6
Synonyms	ASN 05987933 SR-01000338982 1-(2,5-dimethoxyphenyl)-2-[(5-isopropyl-4-propyl-1,2,4-triazol-3-yl)thio]ethanone CHEMBL1603183 AC1LCQ04 BDBM71656 SR-01000338982-1 1-(2,5-dimethoxyphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone cid_654177 AKOS000693449 SMR000005938 1-(2,5-Dimethoxy-phenyl)-2-(5-isopropyl-4-propyl-4H-[1,2,4]triazol-3-ylsulfanyl)-ethanone 1-(2,5-dimethoxyphenyl)-2-[(5-propan-2-yl-4-propyl-1,2,4-triazol-3-yl)thio]ethanone HMS2335F03 [ Show all ]
Inchi Key	AENUORICOLJQPZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H25N3O3S/c1-6-9-21-17(12(2)3)19-20-18(21)25-11-15(22)14-10-13(23-4)7-8-16(14)24-5/h7-8,10,12H,6,9,11H2,1-5H3
PubChem CID	654177
ChEMBL	CHEMBL1603183
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
3664	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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