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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	MLS000624306
Molecular formula	C18H13N5OS
IUPAC name	1-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone
Molecular weight	347.396
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.6
Synonyms	BDBM32351 1-phenyl-2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone cid_7190795 ZINC4327927 AC1OHQJX HMS2707A22 1-phenyl-2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethanone MolPort-003-077-631 1-phenyl-2-[[3-(3-pyridyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]ethanone F1835-0352 AKOS024612859 MCULE-8808519799 1-phenyl-2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]ethanone CHEMBL1580576 SMR000323618 868969-40-8 HMS1655G03 [ Show all ]
Inchi Key	GGYXJCAZPGQJQS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H13N5OS/c24-15(13-5-2-1-3-6-13)12-25-17-9-8-16-20-21-18(23(16)22-17)14-7-4-10-19-11-14/h1-11H,12H2
PubChem CID	7190795
ChEMBL	CHEMBL1580576
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
96219	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
96217	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
96218	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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