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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	CHEMBL3422017
Molecular formula	C20H18N6O2S
IUPAC name	[(8R)-8-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
Molecular weight	406.464
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.2
Synonyms	BDBM50081197 SCHEMBL16049384
Inchi Key	MPIGZKVWBCATSN-GFCCVEGCSA-N
Inchi ID	InChI=1S/C20H18N6O2S/c1-12-17-22-23-18(19-21-13(2)24-28-19)26(17)10-9-25(12)20(27)15-7-5-14(6-8-15)16-4-3-11-29-16/h3-8,11-12H,9-10H2,1-2H3/t12-/m1/s1
PubChem CID	71549767
ChEMBL	CHEMBL3422017
IUPHAR	N/A
BindingDB	50081197
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
449972	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
449973	Neuromedin-K receptor	P16177	Tacr3	Rattus norvegicus (Rat)	452
449974	Neuromedin-K receptor	P29371	TACR3	Homo sapiens (Human)	465
563968	Substance-K receptor	P21452	TACR2	Homo sapiens (Human)	398
563969	Substance-P receptor	P25103	TACR1	Homo sapiens (Human)	407

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