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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	CHEMBL96644
Molecular formula	C25H25N3O6S
IUPAC name	2-(1,3-benzodioxol-5-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)-N-(4-propan-2-ylphenyl)sulfonylacetamide
Molecular weight	495.55
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.2
Synonyms	BDBM50290960 N-[2-Benzo[1,3]dioxol-5-yl-2-(3-oxo-3,5,6,7-tetrahydro-cyclopenta[c]pyridazin-2-yl)-acetyl]-4-isopropyl-benzenesulfonamide
Inchi Key	BWKIMMGYUTXUFD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H25N3O6S/c1-15(2)16-6-9-19(10-7-16)35(31,32)27-25(30)24(18-8-11-21-22(12-18)34-14-33-21)28-23(29)13-17-4-3-5-20(17)26-28/h6-13,15,24H,3-5,14H2,1-2H3,(H,27,30)
PubChem CID	44327726
ChEMBL	CHEMBL96644
IUPHAR	N/A
BindingDB	50290960
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
34514	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
34513	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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