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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	CHEMBL8878
Molecular formula	C25H31NO6
IUPAC name	(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(2-butoxyethyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	441.524
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.5
Synonyms	(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-(2-butoxy-ethyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50051013 1-(2-Butoxyethyl)-2alpha-(4-methoxyphenyl)-4alpha-(1,3-benzodioxol-5-yl)pyrrolidine-3beta-carboxylic acid
Inchi Key	DIUDAQSROUSOQQ-NKKJXINNSA-N
Inchi ID	InChI=1S/C25H31NO6/c1-3-4-12-30-13-11-26-15-20(18-7-10-21-22(14-18)32-16-31-21)23(25(27)28)24(26)17-5-8-19(29-2)9-6-17/h5-10,14,20,23-24H,3-4,11-13,15-16H2,1-2H3,(H,27,28)/t20-,23-,24+/m0/s1
PubChem CID	10789279
ChEMBL	CHEMBL8878
IUPHAR	N/A
BindingDB	50051013
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
61080	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
61079	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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