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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	MLS001219249
Molecular formula	C20H18N2O7
IUPAC name	[2-(3-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanoate
Molecular weight	398.371
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.8
Synonyms	2-(3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-8-en-4-yl)-propionic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester BAS 00757810 MLS-0332249.0001 STK268434 CHEMBL1331585 Oprea1_285295 AKOS000740940 HMS2898N07 SR-01000413133 2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate BDBM67358 UPCMLD0ENAT0505-6930:001 AC1MJTK3 cid_3118023 Oprea1_350925 2-(3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-8-en-4-yl)-propionic acid 2-(3-nitr AKOS016877796 MCULE-7423758592 SR-01000413133-1 2-{3-nitrophenyl}-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoate MolPort-001-025-197 AK-918/11909109 EU-0069521 SMR000608131 [ Show all ]
Inchi Key	BTWSFRYVPCVJKN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N2O7/c1-10(21-18(24)16-12-5-6-13(7-12)17(16)19(21)25)20(26)29-9-15(23)11-3-2-4-14(8-11)22(27)28/h2-6,8,10,12-13,16-17H,7,9H2,1H3
PubChem CID	3118023
ChEMBL	CHEMBL1331585
IUPHAR	N/A
BindingDB	67358
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
32752	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
32753	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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