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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	CHEMBL109242
Molecular formula	C31H44N2O7S
IUPAC name	(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-[pentylsulfonyl(propyl)amino]ethyl]-2-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	588.76
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	3.2
Synonyms	(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-{2-[(pentane-1-sulfonyl)-propyl-amino]-ethyl}-2-(4-propoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50061080
Inchi Key	DPADGXFJBCNLKG-XUEBXJBISA-N
Inchi ID	InChI=1S/C31H44N2O7S/c1-4-7-8-19-41(36,37)33(15-5-2)17-16-32-21-26(24-11-14-27-28(20-24)40-22-39-27)29(31(34)35)30(32)23-9-12-25(13-10-23)38-18-6-3/h9-14,20,26,29-30H,4-8,15-19,21-22H2,1-3H3,(H,34,35)/t26-,29-,30+/m1/s1
PubChem CID	11801523
ChEMBL	CHEMBL109242
IUPHAR	N/A
BindingDB	50061080
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
65490	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
65491	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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