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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	MLS001035334
Molecular formula	C19H18N2O7
IUPAC name	[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
Molecular weight	386.36
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.9
Synonyms	cid_2899190 SR-01000494467 2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethanoate AKOS001672662 Oprea1_422677 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester HMS2998F18 SR-01000494467-1 AKOS022001298 MolPort-001-516-583 [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate CHEMBL1592181 SMR000664541 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester MCULE-8696877083 STK252950 AC1MFR3V BDBM67372 Oprea1_150753 [ Show all ]
Inchi Key	CXQJULGCQBTONZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N2O7/c1-11-6-7-12(8-15(11)21(26)27)16(22)10-28-17(23)9-20-18(24)13-4-2-3-5-14(13)19(20)25/h2-3,6-8,13-14H,4-5,9-10H2,1H3
PubChem CID	2899190
ChEMBL	CHEMBL1592181
IUPHAR	N/A
BindingDB	67372
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
53028	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
53029	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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