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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	MLS000090902
Molecular formula	C19H21NO4
IUPAC name	2-methoxyethyl 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate
Molecular weight	327.38
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.6
Synonyms	2-methoxyethyl 3-methyl-4-oxo-6-phenyl-5,6,7-trihydroindole-2-carboxylate SR-01000094407 4-keto-3-methyl-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester HMS2295G13 STK405198 2-methoxyethyl 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate AKOS022032684 MolPort-000-910-062 3-methyl-4-oxo-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylic acid 2-methoxyethyl ester CHEMBL1576132 SR-01000094407-1 AC1MMJOK MCULE-6761750003 2-methoxyethyl 3-methyl-4-oxo-6-phenyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate BDBM31065 SMR000025505 cid_3239810 ST50641877 2-methoxyethyl 3-methyl-4-oxidanylidene-6-phenyl-1,5,6,7-tetrahydroindole-2-carboxylate AKOS003368459 [ Show all ]
Inchi Key	AQLXIJYAVMSMFH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H21NO4/c1-12-17-15(20-18(12)19(22)24-9-8-23-2)10-14(11-16(17)21)13-6-4-3-5-7-13/h3-7,14,20H,8-11H2,1-2H3
PubChem CID	3239810
ChEMBL	CHEMBL1576132
IUPHAR	N/A
BindingDB	31065
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
11896	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
11893	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
11897	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
11894	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
11895	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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