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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	MLS002589217
Molecular formula	C22H21N3O5
IUPAC name	2-[4-[2-(4-hydroxyphenyl)ethylamino]-3-nitrophenyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Molecular weight	407.426
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	3.9
Synonyms	CHEMBL1418821 AKOS002123375 EU-0098435 SR-01000076568 HMS2590L20 SR-01000076568-1 [ Show all ]
Inchi Key	BJRYZTDRHVYPTC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H21N3O5/c26-16-8-5-14(6-9-16)11-12-23-19-10-7-15(13-20(19)25(29)30)24-21(27)17-3-1-2-4-18(17)22(24)28/h1-2,5-10,13,17-18,23,26H,3-4,11-12H2
PubChem CID	12004459
ChEMBL	CHEMBL1418821
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
25399	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
25400	Neuropeptide Y receptor type 1	P25929	NPY1R	Homo sapiens (Human)	384
25401	Neuropeptide Y receptor type 2	P49146	NPY2R	Homo sapiens (Human)	381
466056	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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