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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	CHEMBL3586442
Molecular formula	C21H22ClN7O
IUPAC name	[(3aS,6aR)-2-(4,6-dimethylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-[5-chloro-2-(triazol-2-yl)phenyl]methanone
Molecular weight	423.905
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.3
Synonyms	BDBM50092811
Inchi Key	GEMAIVSIEYUQIM-IYBDPMFKSA-N
Inchi ID	InChI=1S/C21H22ClN7O/c1-13-7-14(2)26-21(25-13)28-11-15-9-27(10-16(15)12-28)20(30)18-8-17(22)3-4-19(18)29-23-5-6-24-29/h3-8,15-16H,9-12H2,1-2H3/t15-,16+
PubChem CID	122180345
ChEMBL	CHEMBL3586442
IUPHAR	N/A
BindingDB	50092811
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
474554	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
474552	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444
474553	Orexin receptor type 2	P56719	Hcrtr2	Rattus norvegicus (Rat)	460

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