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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	CHEMBL3422011
Molecular formula	C21H19N5OS2
IUPAC name	[(8S)-8-methyl-3-(2-methyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
Molecular weight	421.537
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.0
Synonyms	BDBM50081302 SCHEMBL16047881
Inchi Key	BWTVMVHFJRFVFO-ZDUSSCGKSA-N
Inchi ID	InChI=1S/C21H19N5OS2/c1-13-19-23-24-20(17-12-29-14(2)22-17)26(19)10-9-25(13)21(27)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11-13H,9-10H2,1-2H3/t13-/m0/s1
PubChem CID	90417750
ChEMBL	CHEMBL3422011
IUPHAR	N/A
BindingDB	50081302
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
443050	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
536887	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
536888	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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