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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	N-(5-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
Molecular formula	C18H16ClN3O3
IUPAC name	N-(5-chloro-2-methylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide
Molecular weight	357.794
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.3
Synonyms	ZINC03660505 MCULE-2397115238 AC1N9MWG N-(5-chloro-2-methylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide CHEMBL1529453 ZINC3660505 MLS000729585 AKOS001779812 SMR000307862 EU-0087804 [ Show all ]
Inchi Key	BBPATBGFZKKVRQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16ClN3O3/c1-11-6-7-12(19)10-14(11)21-15(23)5-3-9-22-17(24)13-4-2-8-20-16(13)18(22)25/h2,4,6-8,10H,3,5,9H2,1H3,(H,21,23)
PubChem CID	4413149
ChEMBL	CHEMBL1529453
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
19709	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757
19711	Relaxin receptor 2	Q8WXD0	RXFP2	Homo sapiens (Human)	754
19710	Vasopressin V1b receptor	P47901	AVPR1B	Homo sapiens (Human)	424

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