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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	CHEMBL1398111
Molecular formula	C24H23N3O3S
IUPAC name	1-[(4-ethoxyphenyl)methyl]-3-(5-methyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)urea
Molecular weight	433.526
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.9
Synonyms	AKOS001893950 NCGC00119982-01 E006-0281 MolPort-007-715-673 ZINC8830977 HMS1857B05 N-(4-ethoxybenzyl)-N'-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-8-yl)urea MCULE-5375039601 [ Show all ]
Inchi Key	AAJYPLYCMHMOJW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H23N3O3S/c1-3-30-18-11-8-16(9-12-18)15-25-24(29)26-17-10-13-22-20(14-17)27(2)23(28)19-6-4-5-7-21(19)31-22/h4-14H,3,15H2,1-2H3,(H2,25,26,29)
PubChem CID	16016711
ChEMBL	CHEMBL1398111
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
462995	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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