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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	CHEMBL3144737
Molecular formula	C21H17F5N2O4
IUPAC name	4-(1,3-benzodioxol-5-ylmethyl)-2-[(3-methoxyphenyl)methyl]-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-one
Molecular weight	456.369
Hydrogen bond acceptor	10
Hydrogen bond donor	1
XlogP	4.7
Synonyms	4-Benzo[1,3]dioxol-5-ylmethyl-2-(3-methoxy-benzyl)-5-pentafluoroethyl-2H-pyrazol-3-ol CHEMBL285605 L014721 1-(3-Methoxybenzyl)-3-(pentafluoroethyl)-4-(1,3-benzodioxole-5-ylmethyl)-1H-pyrazole-5-ol SCHEMBL9055432 BDBM50089715 [ Show all ]
Inchi Key	GMLUFYKKSDCOBG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H17F5N2O4/c1-30-14-4-2-3-13(7-14)10-28-19(29)15(18(27-28)20(22,23)21(24,25)26)8-12-5-6-16-17(9-12)32-11-31-16/h2-7,9,27H,8,10-11H2,1H3
PubChem CID	44213279
ChEMBL	CHEMBL3144737
IUPHAR	N/A
BindingDB	50089715
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
100006	Endothelin receptor type B	P21451	Ednrb	Rattus norvegicus (Rat)	442
100007	Endothelin-1 receptor	P26684	Ednra	Rattus norvegicus (Rat)	426

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