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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	CHEMBL9334
Molecular formula	C28H36N2O6
IUPAC name	(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[2-[butyl(propyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	496.604
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.0
Synonyms	(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-[(butyl-propyl-carbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50050975
Inchi Key	BSMQWDCPKODFQI-WDDWZANVSA-N
Inchi ID	InChI=1S/C28H36N2O6/c1-4-6-14-29(13-5-2)25(31)17-30-16-22(20-9-12-23-24(15-20)36-18-35-23)26(28(32)33)27(30)19-7-10-21(34-3)11-8-19/h7-12,15,22,26-27H,4-6,13-14,16-18H2,1-3H3,(H,32,33)/t22-,26-,27+/m0/s1
PubChem CID	10648937
ChEMBL	CHEMBL9334
IUPHAR	N/A
BindingDB	50050975
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
31790	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
31792	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
31789	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427
31791	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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