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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	CHEMBL2261361
Molecular formula	C27H26N2O7S
IUPAC name	(2S)-2-(1,3-benzodioxol-5-yl)-2-[6-(hydroxymethyl)-1-methylindol-3-yl]-N-(2-methoxy-4-methylphenyl)sulfonylacetamide
Molecular weight	522.572
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.3
Synonyms	N-[(S)-2-[1-Methyl-6-(hydroxymethyl)-1H-indole-3-yl]-2-(1,3-benzodioxole-5-yl)acetyl]-2-methoxy-4-methylbenzenesulfonamide
Inchi Key	PGAMLYVKCIXYNX-SANMLTNESA-N
Inchi ID	InChI=1S/C27H26N2O7S/c1-16-4-9-25(24(10-16)34-3)37(32,33)28-27(31)26(18-6-8-22-23(12-18)36-15-35-22)20-13-29(2)21-11-17(14-30)5-7-19(20)21/h4-13,26,30H,14-15H2,1-3H3,(H,28,31)/t26-/m0/s1
PubChem CID	76312118
ChEMBL	CHEMBL2261361
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
258842	Endothelin receptor type B	Q9N0W7	EDNRB	Oryctolagus cuniculus (Rabbit)	441
258844	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
258843	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427
451903	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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