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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	SMR000029983
Molecular formula	C25H25FN4O3
IUPAC name	N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide
Molecular weight	448.498
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.2
Synonyms	AKOS021718169 N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide HMS2183L16 AC1MMRF0 MLS001367504 N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl}-1,3-benzodioxole-5-carboxamide MCULE-8935825321 AKOS001900320 MolPort-003-050-061 CHEMBL1541600 MLS000094405 [ Show all ]
Inchi Key	ABTALAXWNWMKCX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H25FN4O3/c26-20-4-6-21(7-5-20)29-10-12-30(13-11-29)22(19-2-1-9-27-15-19)16-28-25(31)18-3-8-23-24(14-18)33-17-32-23/h1-9,14-15,22H,10-13,16-17H2,(H,28,31)
PubChem CID	3243246
ChEMBL	CHEMBL1541600
IUPHAR	N/A
BindingDB	N/A
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
1155	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
463095	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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