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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	CHEMBL9082
Molecular formula	C25H29NO6
IUPAC name	(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-(2-oxohexyl)pyrrolidine-3-carboxylic acid
Molecular weight	439.508
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.5
Synonyms	(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-(2-oxo-hexyl)-pyrrolidine-3-carboxylic acid BDBM50051014 1-(2-Oxohexyl)-2alpha-(4-methoxyphenyl)-4alpha-(1,3-benzodioxol-5-yl)pyrrolidine-3beta-carboxylic acid
Inchi Key	AFWSQGJVIWWEOP-NKKJXINNSA-N
Inchi ID	InChI=1S/C25H29NO6/c1-3-4-5-18(27)13-26-14-20(17-8-11-21-22(12-17)32-15-31-21)23(25(28)29)24(26)16-6-9-19(30-2)10-7-16/h6-12,20,23-24H,3-5,13-15H2,1-2H3,(H,28,29)/t20-,23-,24+/m0/s1
PubChem CID	10575061
ChEMBL	CHEMBL9082
IUPHAR	N/A
BindingDB	50051014
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
4572	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
4571	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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