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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	SCHEMBL1671891
Molecular formula	C27H24N4OS
IUPAC name	(2-phenylphenyl)-[2-(4-thiophen-2-ylpyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
Molecular weight	452.576
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.9
Synonyms	US8653263, 38 AAHDCERIKHANLG-UHFFFAOYSA-N CHEMBL3646189 BDBM118385 2-(Biphenyl-2-ylcarbonyl)-5-(4-thiophen-2-ylpyrimidin-2-yl)octahydropyrrolo[3,4-c]pyrrole
Inchi Key	AAHDCERIKHANLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H24N4OS/c32-26(23-10-5-4-9-22(23)19-7-2-1-3-8-19)30-15-20-17-31(18-21(20)16-30)27-28-13-12-24(29-27)25-11-6-14-33-25/h1-14,20-21H,15-18H2
PubChem CID	52917089
ChEMBL	CHEMBL3646189
IUPHAR	N/A
BindingDB	118385
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
202	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
201	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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