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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	SMR000600564
Molecular formula	C27H29FN4O4
IUPAC name	N'-benzyl-N'-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide
Molecular weight	492.551
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.2
Synonyms	MCULE-6095505380 AKOS000781387 N'-benzyl-N'-[1-(4-fluorophenyl)-2-(2-methoxyethylamino)-2-oxoethyl]-N-pyridin-2-ylbutanediamide CHEMBL1876126 MLS001220618 ASN 05392360 N-Benzyl-N-[(4-fluoro-phenyl)-(2-methoxy-ethylcarbamoyl)-methyl]-N'-pyridin-2-yl-succinamide HMS2918C15 AC1MKJFO MLS003909850 [ Show all ]
Inchi Key	ABFHJJFKOAFEMW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H29FN4O4/c1-36-18-17-30-27(35)26(21-10-12-22(28)13-11-21)32(19-20-7-3-2-4-8-20)25(34)15-14-24(33)31-23-9-5-6-16-29-23/h2-13,16,26H,14-15,17-19H2,1H3,(H,30,35)(H,29,31,33)
PubChem CID	3205162
ChEMBL	CHEMBL1876126
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
463047	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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