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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	SMR000131240
Molecular formula	C21H31N3O3S
IUPAC name	6,7-diethoxy-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Molecular weight	405.557
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	6,7-diethoxy-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one MolPort-007-913-079 EU-0094661 AKOS021629152 MLS-0078009.0001 6,7-diethoxy-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one CHEMBL1564718 AC1NMSWO HMS2416A19 6,7-diethoxy-3-[2-(2-ethyl-1-piperidinyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one BDBM76116 MLS000520831 6,7-diethoxy-3-[2-(2-ethylpiperidino)ethyl]-2-thioxo-1H-quinazolin-4-one cid_5056559 AKOS002097486 MCULE-4814163301 [ Show all ]
Inchi Key	DIWHXHHRBNIPKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H31N3O3S/c1-4-15-9-7-8-10-23(15)11-12-24-20(25)16-13-18(26-5-2)19(27-6-3)14-17(16)22-21(24)28/h13-15H,4-12H2,1-3H3,(H,22,28)
PubChem CID	5056559
ChEMBL	CHEMBL1564718
IUPHAR	N/A
BindingDB	76116
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
61144	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
470481	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
61143	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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