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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	868968-75-6
Molecular formula	C20H18N6O3S
IUPAC name	N-(3,4-dimethoxyphenyl)-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]acetamide
Molecular weight	422.463
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.0
Synonyms	MCULE-5889066870 AKOS024612799 N-(3,4-dimethoxyphenyl)-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide F1835-0281 MLS001232862 SMR000806351 HMS2976F22 MolPort-003-077-566 CHEMBL1326698 ZINC9599820 [ Show all ]
Inchi Key	ABSPPERXNFIADP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N6O3S/c1-28-15-6-5-14(10-16(15)29-2)22-18(27)12-30-19-8-7-17-23-24-20(26(17)25-19)13-4-3-9-21-11-13/h3-11H,12H2,1-2H3,(H,22,27)
PubChem CID	16825458
ChEMBL	CHEMBL1326698
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
1147	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
1146	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
1148	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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