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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	MLS001116669
Molecular formula	C21H23N3O5S
IUPAC name	6-[[4-methoxy-3-(2-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	MCULE-9170605303 AKOS001950969 CHEMBL1330832 AKOS021655912 HMS2961B12 6-{4-methoxy-3-[(2-methylpiperidin-1-yl)sulfonyl]benzyl}-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione SMR000629999 [ Show all ]
Inchi Key	BKSSUWJVUFJNKW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H23N3O5S/c1-14-6-3-4-11-24(14)30(27,28)18-12-15(8-9-17(18)29-2)13-23-20(25)16-7-5-10-22-19(16)21(23)26/h5,7-10,12,14H,3-4,6,11,13H2,1-2H3
PubChem CID	20923126
ChEMBL	CHEMBL1330832
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
26132	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
26133	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
26131	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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