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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	CHEMBL113611
Molecular formula	C30H40N2O6
IUPAC name	(2R,3R,4S)-1-[2-(dibutylamino)-2-oxoethyl]-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	524.658
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	2.3
Synonyms	BDBM50056057 2beta-(4-Methoxyphenyl)-4beta-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(dibutylcarbamoylmethyl)pyrrolidine-3alpha-carboxylic acid (2R,3R,4S)-1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid 1-Dibutylcarbamoylmethyl-4-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid
Inchi Key	DFPCVVZATIUBJZ-USOMCTOXSA-N
Inchi ID	InChI=1S/C30H40N2O6/c1-4-6-14-31(15-7-5-2)27(33)20-32-19-24(22-10-13-25-26(18-22)38-17-16-37-25)28(30(34)35)29(32)21-8-11-23(36-3)12-9-21/h8-13,18,24,28-29H,4-7,14-17,19-20H2,1-3H3,(H,34,35)/t24-,28-,29+/m1/s1
PubChem CID	10673644
ChEMBL	CHEMBL113611
IUPHAR	N/A
BindingDB	50056057
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
58767	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
58769	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
58768	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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