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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	CHEMBL8925
Molecular formula	C28H36N2O6
IUPAC name	(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-(dibutylcarbamoyl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	496.604
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.6
Synonyms	1-(Dibutylaminocarbonyl)-2alpha-(4-methoxyphenyl)-4alpha-(1,3-benzodioxol-5-yl)pyrrolidine-3beta-carboxylic acid (2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoyl-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50050977
Inchi Key	BJVKQDFBWZHLEG-UCGXPXSYSA-N
Inchi ID	InChI=1S/C28H36N2O6/c1-4-6-14-29(15-7-5-2)28(33)30-17-22(20-10-13-23-24(16-20)36-18-35-23)25(27(31)32)26(30)19-8-11-21(34-3)12-9-19/h8-13,16,22,25-26H,4-7,14-15,17-18H2,1-3H3,(H,31,32)/t22-,25-,26+/m0/s1
PubChem CID	10625083
ChEMBL	CHEMBL8925
IUPHAR	N/A
BindingDB	50050977
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
25489	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
25490	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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