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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	MLS000624310
Molecular formula	C16H17N5O2S
IUPAC name	ethyl 2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate
Molecular weight	343.405
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.4
Synonyms	NCGC00164710-01 cid_16189291 SR-01000016323-1 868969-31-7 F1835-0343 SMR000323616 2-[[3-(3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]butanoic acid ethyl ester ethyl 2-((3-(pyridin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)butanoate AKOS024612852 HMS2727K19 MolPort-003-077-623 CHEMBL1341871 SR-01000016323 2-[[3-(3-pyridyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thio]butyric acid ethyl ester ethyl 2-[(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)sulfanyl]butanoate BDBM63444 MCULE-4970113836 [ Show all ]
Inchi Key	BUPVLXNJKKOQAW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H17N5O2S/c1-3-12(16(22)23-4-2)24-14-8-7-13-18-19-15(21(13)20-14)11-6-5-9-17-10-11/h5-10,12H,3-4H2,1-2H3
PubChem CID	16189291
ChEMBL	CHEMBL1341871
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
33262	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
33263	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
33264	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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