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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	CHEMBL3669032
Molecular formula	C24H24N6O2
IUPAC name	[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-ylpyridin-2-yl)methanone
Molecular weight	428.496
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.8
Synonyms	BDBM175179 SCHEMBL16031635 US9115117, 81
Inchi Key	CEZCPRMJAIZSLB-FUHWJXTLSA-N
Inchi ID	InChI=1S/C24H24N6O2/c1-15-10-11-17(22-25-12-6-13-26-22)21(27-15)23(31)30-14-5-8-18(16(30)2)28-24-29-19-7-3-4-9-20(19)32-24/h3-4,6-7,9-13,16,18H,5,8,14H2,1-2H3,(H,28,29)/t16-,18+/m0/s1
PubChem CID	90405452
ChEMBL	CHEMBL3669032
IUPHAR	N/A
BindingDB	175179
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
467880	Orexin receptor type 1	P56718	Hcrtr1	Rattus norvegicus (Rat)	416
517519	Orexin receptor type 1	O43613	HCRTR1	Homo sapiens (Human)	425
467881	Orexin receptor type 2	O43614	HCRTR2	Homo sapiens (Human)	444

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