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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	TCMDC-124336
Molecular formula	C16H14N4S2
IUPAC name	6-(4-ethylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
Molecular weight	326.436
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.1
Synonyms	MLS000098743 AC1MHB0W HMS2352D07 6-(4-ethylphenyl)-3-thiophen-2-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine AKOS034446282 MolPort-004-043-515 CHEMBL527271 Z55660073 6-(4-ethylphenyl)-3-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine MCULE-4731696346 752219-31-1 BDBM49029 SMR000063776 cid_2999101 ZINC4163948 6-(4-ethylphenyl)-3-(thiophen-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine [ Show all ]
Inchi Key	AUIQVDGWXRAVOO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H14N4S2/c1-2-11-5-7-12(8-6-11)13-10-22-16-18-17-15(20(16)19-13)14-4-3-9-21-14/h3-9H,2,10H2,1H3
PubChem CID	2999101
ChEMBL	CHEMBL527271
IUPHAR	N/A
BindingDB	49029
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
14666	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
14667	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
14665	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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