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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	CHEMBL3978393
Molecular formula	C29H28ClF3N4O2
IUPAC name	(2R)-N-[4-chloro-3-[1-methyl-6-(trifluoromethoxy)benzimidazol-2-yl]phenyl]-2-[(5R,8S)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
Molecular weight	557.014
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	7.0
Synonyms	BDBM50200482
Inchi Key	BGMHGWBNXBMNQS-CEQIKUNHSA-N
Inchi ID	InChI=1S/C29H28ClF3N4O2/c1-15-5-9-21(26-20(15)10-6-16(2)34-26)17(3)28(38)35-18-7-11-23(30)22(13-18)27-36-24-12-8-19(39-29(31,32)33)14-25(24)37(27)4/h6-8,10-15,17,21H,5,9H2,1-4H3,(H,35,38)/t15-,17-,21+/m1/s1
PubChem CID	134152007
ChEMBL	CHEMBL3978393
IUPHAR	N/A
BindingDB	50200482
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
548150	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793

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