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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	SMR000045905
Molecular formula	C21H26N4O3
IUPAC name	oxolan-2-ylmethyl 2-amino-1-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate
Molecular weight	382.464
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AKOS025271706 MLS000041904 2-amino-1-(3-methylbutyl)-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid 2-oxolanylmethyl ester CHEMBL1496517 oxolan-2-ylmethyl 2-amino-1-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate 848753-12-8 HMS3312K16 STL225518 BDBM67149 MLS002583814 2-amino-1-isoamyl-pyrrolo[3,2-b]quinoxaline-3-carboxylic acid tetrahydrofurfuryl ester cid_664920 oxolan-2-ylmethyl 2-azanyl-1-(3-methylbutyl)pyrrolo[3,2-b]quinoxaline-3-carboxylate AC1LDCO7 MCULE-7897931970 tetrahydrofuran-2-ylmethyl 2-amino-1-(3-methylbutyl)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate MolPort-002-623-059 HMS2167F20 [ Show all ]
Inchi Key	DFJPGXRYMDUTBY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N4O3/c1-13(2)9-10-25-19(22)17(21(26)28-12-14-6-5-11-27-14)18-20(25)24-16-8-4-3-7-15(16)23-18/h3-4,7-8,13-14H,5-6,9-12,22H2,1-2H3
PubChem CID	664920
ChEMBL	CHEMBL1496517
IUPHAR	N/A
BindingDB	67149
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
58598	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
58599	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
58600	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
58602	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764
58601	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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