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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	CHEMBL473896
Molecular formula	C31H27F3N2O
IUPAC name	N-[(2S)-2-(benzylamino)-2,3-dihydro-1H-inden-5-yl]-3-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
Molecular weight	500.565
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	7.1
Synonyms	(S)-N-(2-(benzylamino)-2,3-dihydro-1H-inden-5-yl)-6-methyl-4''-(trifluoromethyl)biphenyl-2-carboxamide BDBM50277258
Inchi Key	CBSYYIOBMXSLKK-MHZLTWQESA-N
Inchi ID	InChI=1S/C31H27F3N2O/c1-20-6-5-9-28(29(20)22-10-13-25(14-11-22)31(32,33)34)30(37)36-26-15-12-23-16-27(18-24(23)17-26)35-19-21-7-3-2-4-8-21/h2-15,17,27,35H,16,18-19H2,1H3,(H,36,37)/t27-/m0/s1
PubChem CID	44591325
ChEMBL	CHEMBL473896
IUPHAR	N/A
BindingDB	50277258
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
38180	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787
38181	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793

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