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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	MLS001116679
Molecular formula	C21H23N3O5S
IUPAC name	6-[[4-methoxy-3-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]pyrrolo[3,4-b]pyridine-5,7-dione
Molecular weight	429.491
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	2.1
Synonyms	AKOS021655907 HMS2961B14 6-{4-methoxy-3-[(3-methylpiperidin-1-yl)sulfonyl]benzyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione MolPort-007-771-471 MCULE-6702202959 AKOS001951062 SMR000630000 CHEMBL1400119 [ Show all ]
Inchi Key	BXCKPIDAKTWCDG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23N3O5S/c1-14-5-4-10-23(12-14)30(27,28)18-11-15(7-8-17(18)29-2)13-24-20(25)16-6-3-9-22-19(16)21(24)26/h3,6-9,11,14H,4-5,10,12-13H2,1-2H3
PubChem CID	20923127
ChEMBL	CHEMBL1400119
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
34960	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
34959	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
34958	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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