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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	MLS002161239
Molecular formula	C19H17NO5
IUPAC name	[2-(1H-indol-3-yl)-2-oxoethyl] 3,4-dimethoxybenzoate
Molecular weight	339.347
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.3
Synonyms	3,4-dimethoxybenzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester CHEMBL1514340 ZINC3571417 AB00732305-01 MCULE-8466363541 BDBM88705 SMR001243663 3,4-dimethoxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester cid_2689697 [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate AC1MAWBK 2-(1H-indol-3-yl)-2-oxoethyl 3,4-dimethoxybenzoate Z18491228 573966-93-5 HMS3068L16 [2-(1H-indol-3-yl)-2-oxoethyl] 3,4-dimethoxybenzoate AKOS001075954 MolPort-004-084-612 [ Show all ]
Inchi Key	ADHVSMMLXKWZCE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H17NO5/c1-23-17-8-7-12(9-18(17)24-2)19(22)25-11-16(21)14-10-20-15-6-4-3-5-13(14)15/h3-10,20H,11H2,1-2H3
PubChem CID	2689697
ChEMBL	CHEMBL1514340
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
2327	Relaxin receptor 1	Q9HBX9	RXFP1	Homo sapiens (Human)	757

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