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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	MLS000417923
Molecular formula	C24H22N4O2S
IUPAC name	N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
Molecular weight	430.526
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.9
Synonyms	851892-90-5 MolPort-004-078-071 SMR000264755 MCULE-6928263361 AC1M83MR N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-b]quinazoline-3-carboxamide CHEMBL1568593 Z27853056 AKOS034029918 N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide HMS2558K09 ZINC3410915 [ Show all ]
Inchi Key	AXGVOYOTSMSGIX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H22N4O2S/c1-15-6-8-16(9-7-15)20-14-31-24(26-20)27-22(29)17-10-11-18-19(13-17)25-21-5-3-2-4-12-28(21)23(18)30/h6-11,13-14H,2-5,12H2,1H3,(H,26,27,29)
PubChem CID	2529822
ChEMBL	CHEMBL1568593
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
16695	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
464944	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593
16694	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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