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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	CHEMBL113529
Molecular formula	C29H40N2O5
IUPAC name	(2R,3R,4S)-1-[2-(dibutylamino)-2-oxoethyl]-2,4-bis(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	496.648
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.5
Synonyms	(2R,3R,4S)-1-Dibutylcarbamoylmethyl-2,4-bis-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50056075 1-(Dibutylcarbamoylmethyl)-2beta,4beta-bis(4-methoxyphenyl)pyrrolidine-3alpha-carboxylic acid
Inchi Key	FLKHEWXEYTUALG-KZQOYIJHSA-N
Inchi ID	InChI=1S/C29H40N2O5/c1-5-7-17-30(18-8-6-2)26(32)20-31-19-25(21-9-13-23(35-3)14-10-21)27(29(33)34)28(31)22-11-15-24(36-4)16-12-22/h9-16,25,27-28H,5-8,17-20H2,1-4H3,(H,33,34)/t25-,27-,28+/m1/s1
PubChem CID	10767586
ChEMBL	CHEMBL113529
IUPHAR	N/A
BindingDB	50056075
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
81300	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
81301	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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