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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	AC1NHO97
Molecular formula	C20H27N5O3S2
IUPAC name	2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
Molecular weight	449.588
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.1
Synonyms	2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide CHEMBL1474727 AB00734038-01 MolPort-004-094-939 AKOS033908663 ZINC9508616 2-[(5-cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-methyl-3-(piperidine-1-sulfonyl)phenyl]acetamide MCULE-6729118541 AB00734038-06 SMR001245167 854026-39-4 MLS002162767 Z24310619 [ Show all ]
Inchi Key	AAHRVZWFTKGHEZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H27N5O3S2/c1-14-6-9-16(12-17(14)30(27,28)25-10-4-3-5-11-25)21-18(26)13-29-20-23-22-19(24(20)2)15-7-8-15/h6,9,12,15H,3-5,7-8,10-11,13H2,1-2H3,(H,21,26)
PubChem CID	4793149
ChEMBL	CHEMBL1474727
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
462990	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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