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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	CHEMBL2160208
Molecular formula	C40H41N7O2
IUPAC name	3-pyridin-3-yl-N-[1-[[6-[4-[(3-pyridin-3-ylbenzoyl)amino]piperidin-1-yl]pyridin-3-yl]methyl]piperidin-4-yl]benzamide
Molecular weight	651.815
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	5.3
Synonyms	SCHEMBL15615256 BDBM50394561
Inchi Key	CHEGQSMAFNABCA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C40H41N7O2/c48-39(32-7-1-5-30(23-32)34-9-3-17-41-26-34)44-36-13-19-46(20-14-36)28-29-11-12-38(43-25-29)47-21-15-37(16-22-47)45-40(49)33-8-2-6-31(24-33)35-10-4-18-42-27-35/h1-12,17-18,23-27,36-37H,13-16,19-22,28H2,(H,44,48)(H,45,49)
PubChem CID	71458712
ChEMBL	CHEMBL2160208
IUPHAR	N/A
BindingDB	50394561
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
41914	Smoothened homolog	Q99835	SMO	Homo sapiens (Human)	787
41915	Smoothened homolog	P56726	Smo	Mus musculus (Mouse)	793

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