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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	CHEMBL123997
Molecular formula	C32H36N2O6
IUPAC name	(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(2-ethyl-6-propylanilino)-2-oxoethyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	544.648
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.4
Synonyms	(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[(2-ethyl-6-propyl-phenylcarbamoyl)-methyl]-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50080585 1-[[(2-Ethyl-6-propylphenyl)carbamoyl]methyl]-2beta-(4-methoxyphenyl)-4beta-(1,3-benzodioxole-5-yl)pyrrolidine-3alpha-carboxylic acid
Inchi Key	APXDEEHRWJDGMC-ICTSCBFQSA-N
Inchi ID	InChI=1S/C32H36N2O6/c1-4-7-21-9-6-8-20(5-2)30(21)33-28(35)18-34-17-25(23-12-15-26-27(16-23)40-19-39-26)29(32(36)37)31(34)22-10-13-24(38-3)14-11-22/h6,8-16,25,29,31H,4-5,7,17-19H2,1-3H3,(H,33,35)(H,36,37)/t25-,29-,31+/m1/s1
PubChem CID	10602620
ChEMBL	CHEMBL123997
IUPHAR	N/A
BindingDB	50080585
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
11424	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
11425	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427

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