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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	CHEMBL9012
Molecular formula	C26H24FNO5
IUPAC name	(2S,3S,4R)-4-(1,3-benzodioxol-5-yl)-1-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
Molecular weight	449.478
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.9
Synonyms	(2S,3S,4R)-4-Benzo[1,3]dioxol-5-yl-1-(4-fluoro-benzyl)-2-(4-methoxy-phenyl)-pyrrolidine-3-carboxylic acid BDBM50051004 1-(4-Fluorobenzyl)-2alpha-(4-methoxyphenyl)-4alpha-(1,3-benzodioxol-5-yl)pyrrolidine-3beta-carboxylic acid
Inchi Key	FYBWTVIWGXJCAT-GVXSCFBNSA-N
Inchi ID	InChI=1S/C26H24FNO5/c1-31-20-9-4-17(5-10-20)25-24(26(29)30)21(18-6-11-22-23(12-18)33-15-32-22)14-28(25)13-16-2-7-19(27)8-3-16/h2-12,21,24-25H,13-15H2,1H3,(H,29,30)/t21-,24-,25+/m0/s1
PubChem CID	10647172
ChEMBL	CHEMBL9012
IUPHAR	N/A
BindingDB	50051004
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
90079	Endothelin receptor type B	P35463	EDNRB	Sus scrofa (Pig)	443
90078	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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