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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	MLS000681499
Molecular formula	C20H15N3O8
IUPAC name	[2-(3-nitrophenyl)-2-oxoethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
Molecular weight	425.353
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	1.4
Synonyms	2-(3-nitrophenyl)-2-oxoethyl N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]glycinate CHEMBL1430172 SR-01000439110-1 MCULE-9579877478 [2-(3-nitrophenyl)-2-oxoethyl] 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate BDBM67265 SMR000269169 2-[(2-phthalimidoacetyl)amino]acetic acid [2-keto-2-(3-nitrophenyl)ethyl] ester cid_2165745 ZINC2749770 AC1M2AJF SR-01000439110 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]acetic acid [2-(3-nitrophenyl)-2-oxoethyl] ester HMS2662O14 [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]ethanoate AKOS001619443 MolPort-001-029-328 [ Show all ]
Inchi Key	AGJBCVULVQCCCS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H15N3O8/c24-16(12-4-3-5-13(8-12)23(29)30)11-31-18(26)9-21-17(25)10-22-19(27)14-6-1-2-7-15(14)20(22)28/h1-8H,9-11H2,(H,21,25)
PubChem CID	2165745
ChEMBL	CHEMBL1430172
IUPHAR	N/A
BindingDB	67265
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
4915	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
4914	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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