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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	CHEMBL199548
Molecular formula	C28H33N3O
IUPAC name	4-[[(2R)-2-[(1R)-1-hydroxy-2-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]ethyl]pyrrolidin-1-yl]methyl]benzonitrile
Molecular weight	427.592
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.8
Synonyms	BDBM50175362 4-(((R)-2-((R)-1-hydroxy-2-(2-methyl-1-(naphthalen-2-yl)propan-2-ylamino)ethyl)pyrrolidin-1-yl)methyl)benzonitrile
Inchi Key	AQUDJFYMRIDORP-KAYWLYCHSA-N
Inchi ID	InChI=1S/C28H33N3O/c1-28(2,17-23-13-14-24-6-3-4-7-25(24)16-23)30-19-27(32)26-8-5-15-31(26)20-22-11-9-21(18-29)10-12-22/h3-4,6-7,9-14,16,26-27,30,32H,5,8,15,17,19-20H2,1-2H3/t26-,27-/m1/s1
PubChem CID	44405873
ChEMBL	CHEMBL199548
IUPHAR	N/A
BindingDB	50175362
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
12107	Extracellular calcium-sensing receptor	P41180	CASR	Homo sapiens (Human)	1078

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