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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	MLS000390934
Molecular formula	C23H20N4O2S
IUPAC name	12-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
Molecular weight	416.499
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.5
Synonyms	CHEMBL1384658 717130-75-1 CHEBI:105599 Z27770727 12-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide HMS2591M11 AC1M693S MolPort-004-001-453 ZINC3226122 12-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide MCULE-6488065105 AKOS034026509 SMR000259971 [ Show all ]
Inchi Key	CHAKNUAHQDBPFY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H20N4O2S/c28-21(26-23-25-19(14-30-23)15-7-3-1-4-8-15)16-10-11-17-18(13-16)24-20-9-5-2-6-12-27(20)22(17)29/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12H2,(H,25,26,28)
PubChem CID	2344311
ChEMBL	CHEMBL1384658
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
41793	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
41791	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
41794	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
468039	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
41792	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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