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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	CHEMBL9050
Molecular formula	C27H34N2O6
IUPAC name	(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[methyl(pentyl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
Molecular weight	482.577
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.7
Synonyms	BDBM50050985 (2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-[(methyl-pentyl-carbamoyl)-methyl]-pyrrolidine-3-carboxylic acid
Inchi Key	FPISJZHXLWMBIL-OUIFVKKZSA-N
Inchi ID	InChI=1S/C27H34N2O6/c1-4-5-6-13-28(2)24(30)16-29-15-21(19-9-12-22-23(14-19)35-17-34-22)25(27(31)32)26(29)18-7-10-20(33-3)11-8-18/h7-12,14,21,25-26H,4-6,13,15-17H2,1-3H3,(H,31,32)/t21-,25-,26+/m0/s1
PubChem CID	11798998
ChEMBL	CHEMBL9050
IUPHAR	N/A
BindingDB	50050985
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
84069	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
84070	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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