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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	CHEMBL3741194
Molecular formula	C25H26N2O5S
IUPAC name	[5-(1,3-benzodioxol-5-yl)-2-methyl-1,3-thiazol-4-yl]-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-yl]methanone
Molecular weight	466.552
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.1
Synonyms	N/A
Inchi Key	YGELRKYVOFQALB-SFHVURJKSA-N
Inchi ID	InChI=1S/C25H26N2O5S/c1-15-26-23(24(33-15)17-7-9-20-22(13-17)32-14-31-20)25(28)27-10-4-5-18(27)11-16-6-8-19(29-2)21(12-16)30-3/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3/t18-/m0/s1
PubChem CID	127038821
ChEMBL	CHEMBL3741194
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
533100	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
533101	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
533099	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444
533102	Orexin receptor type 2	P56719	Hcrtr2	Rattus norvegicus (Rat)	460

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