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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	CHEMBL90320
Molecular formula	C23H21NO4S
IUPAC name	4-[2-cyano-5-(thiophen-3-ylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid
Molecular weight	407.484
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.5
Synonyms	BDBM50065518 L014328 4-[2-cyano-5-(3-thienylmethoxy)phenoxy]-4-(2-methylphenyl)butanoic acid SCHEMBL7900891 4-[2-Cyano-5-(3-thienylmethoxy)phenoxy]-4-(2-methylphenyl)butyric acid ARDXPWJWTGZJGO-UHFFFAOYSA-N 4-[2-Cyano-5-(thiophen-3-ylmethoxy)-phenoxy]-4-o-tolyl-butyric acid [ Show all ]
Inchi Key	ARDXPWJWTGZJGO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21NO4S/c1-16-4-2-3-5-20(16)21(8-9-23(25)26)28-22-12-19(7-6-18(22)13-24)27-14-17-10-11-29-15-17/h2-7,10-12,15,21H,8-9,14H2,1H3,(H,25,26)
PubChem CID	22010244
ChEMBL	CHEMBL90320
IUPHAR	N/A
BindingDB	50065518
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
12363	Endothelin receptor type B	P21451	Ednrb	Rattus norvegicus (Rat)	442
12364	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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