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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	CHEMBL3799529
Molecular formula	C22H25F3N4O2S
IUPAC name	1-(2-methylpropylsulfonyl)-6-piperazin-1-yl-4-[4-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
Molecular weight	466.523
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.6
Synonyms	BDBM50166863
Inchi Key	CRZWHAXESOORIJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H25F3N4O2S/c1-15(2)14-32(30,31)29-10-7-18-19(16-3-5-17(6-4-16)22(23,24)25)13-20(27-21(18)29)28-11-8-26-9-12-28/h3-7,10,13,15,26H,8-9,11-12,14H2,1-2H3
PubChem CID	127047680
ChEMBL	CHEMBL3799529
IUPHAR	N/A
BindingDB	N/A
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
522981	5-hydroxytryptamine receptor 1B	P28564	Htr1b	Rattus norvegicus (Rat)	386
522982	5-hydroxytryptamine receptor 6	P50406	HTR6	Homo sapiens (Human)	440
522980	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
522983	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400

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