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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	MLS000698493
Molecular formula	C21H25ClN2O2
IUPAC name	N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine
Molecular weight	372.893
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM88460 MolPort-000-865-400 (3-chloro-4,5-diethoxy-benzyl)-[2-(1H-indol-3-yl)ethyl]amine CHEMBL1346904 N-[(3-chloranyl-4,5-diethoxy-phenyl)methyl]-2-(1H-indol-3-yl)ethanamine AKOS001479339 MCULE-9997398481 STK510480 CCG-121881 N-(3-chloro-4,5-diethoxybenzyl)-2-(1H-indol-3-yl)ethanamine cid_1818022 N-[(3-chloro-4,5-diethoxyphenyl)methyl]-2-(1H-indol-3-yl)ethanamine AN-465/42889737 ZINC2181924 N-(3-chloro-4,5-diethoxybenzyl)-N-[2-(1H-indol-3-yl)ethyl]amine AC1LYAPE HMS2554A08 SMR000228921 [ Show all ]
Inchi Key	APABSGRYLLJSEU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H25ClN2O2/c1-3-25-20-12-15(11-18(22)21(20)26-4-2)13-23-10-9-16-14-24-19-8-6-5-7-17(16)19/h5-8,11-12,14,23-24H,3-4,9-10,13H2,1-2H3
PubChem CID	1818022
ChEMBL	CHEMBL1346904
IUPHAR	N/A
BindingDB	88460
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
10799	Delta-type opioid receptor	P41143	OPRD1	Homo sapiens (Human)	372
10798	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
10800	Melanocortin receptor 4	P32245	MC4R	Homo sapiens (Human)	332

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