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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	CHEMBL113087
Molecular formula	C31H36N2O7S
IUPAC name	(2R,3R,4S)-4-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)-1-[2-[(4-methylphenyl)sulfonyl-propylamino]ethyl]pyrrolidine-3-carboxylic acid
Molecular weight	580.696
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	2.5
Synonyms	(2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-2-(4-methoxy-phenyl)-1-{2-[propyl-(toluene-4-sulfonyl)-amino]-ethyl}-pyrrolidine-3-carboxylic acid BDBM50061097
Inchi Key	CZMQSNRSDRARJU-XUEBXJBISA-N
Inchi ID	InChI=1S/C31H36N2O7S/c1-4-15-33(41(36,37)25-12-5-21(2)6-13-25)17-16-32-19-26(23-9-14-27-28(18-23)40-20-39-27)29(31(34)35)30(32)22-7-10-24(38-3)11-8-22/h5-14,18,26,29-30H,4,15-17,19-20H2,1-3H3,(H,34,35)/t26-,29-,30+/m1/s1
PubChem CID	10817057
ChEMBL	CHEMBL113087
IUPHAR	N/A
BindingDB	50061097
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
54464	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
54463	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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