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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	CHEMBL1773891
Molecular formula	C33H29N5O3
IUPAC name	[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(4-methylphenyl)pyrimidin-2-yl]-(4-quinolin-3-ylpiperazin-1-yl)methanone
Molecular weight	543.627
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.2
Synonyms	BDBM50343703 (5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-p-tolylpyrimidin-2-yl)(4-(quinolin-3-yl)piperazin-1-yl)methanone
Inchi Key	CLJJMLRNWZVICC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C33H29N5O3/c1-22-6-8-23(9-7-22)31-27(24-10-11-29-30(19-24)41-17-16-40-29)21-35-32(36-31)33(39)38-14-12-37(13-15-38)26-18-25-4-2-3-5-28(25)34-20-26/h2-11,18-21H,12-17H2,1H3
PubChem CID	54586148
ChEMBL	CHEMBL1773891
IUPHAR	N/A
BindingDB	50343703
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
44773	Cholecystokinin receptor type A	P32238	CCKAR	Homo sapiens (Human)	428

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