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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	CHEMBL112770
Molecular formula	C29H46N2O5
IUPAC name	(2S,3R,4S)-4-(1,3-benzodioxol-5-yl)-1-[2-(dibutylamino)-2-oxoethyl]-2-(3-ethylpentyl)pyrrolidine-3-carboxylic acid
Molecular weight	502.696
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.1
Synonyms	1-[(Dibutylcarbamoyl)methyl]-2beta-(3-ethylpentyl)-4beta-(1,3-benzodioxole-5-yl)pyrrolidine-3alpha-carboxylic acid (2S,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-dibutylcarbamoylmethyl-2-(3-ethyl-pentyl)-pyrrolidine-3-carboxylic acid BDBM50066409
Inchi Key	AMHZRTOQHFYHET-FMGHJNRGSA-N
Inchi ID	InChI=1S/C29H46N2O5/c1-5-9-15-30(16-10-6-2)27(32)19-31-18-23(22-12-14-25-26(17-22)36-20-35-25)28(29(33)34)24(31)13-11-21(7-3)8-4/h12,14,17,21,23-24,28H,5-11,13,15-16,18-20H2,1-4H3,(H,33,34)/t23-,24+,28-/m1/s1
PubChem CID	10696818
ChEMBL	CHEMBL112770
IUPHAR	N/A
BindingDB	50066409
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
8909	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
8908	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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