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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	MLS000936863
Molecular formula	C19H19N5O3S
IUPAC name	N-(2-methoxyphenyl)-4-(8-methyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)butanamide
Molecular weight	397.453
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.0
Synonyms	C200-2889 N-(2-methoxyphenyl)-4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)butanamide HMS1814N02 ZINC6817071 NCGC00104782-01 HMS2909E06 AKOS001765441 MolPort-007-596-506 CHEMBL1388847 SMR000621444 MCULE-5082106468 [ Show all ]
Inchi Key	BAOOGMVJKNQYEM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N5O3S/c1-23-18(26)17-13(10-11-28-17)24-15(21-22-19(23)24)8-5-9-16(25)20-12-6-3-4-7-14(12)27-2/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,25)
PubChem CID	15988012
ChEMBL	CHEMBL1388847
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
19033	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
19032	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
19034	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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