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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	SMR000102200
Molecular formula	C21H28N2O3
IUPAC name	4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol
Molecular weight	356.466
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.7
Synonyms	4-[[4-(2,3-dimethylphenyl)piperazino]methyl]-2,6-dimethoxy-phenol cid_1377033 STK118900 AKOS005400819 MLS000105319 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxy-phenol Oprea1_187699 4-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol HMS2398D24 ZINC55543493 BDBM31038 MLS002539668 4-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-2,6-dimethoxyphenol CHEMBL1511639 AC1LQJ9F MCULE-5841664505 4-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-2,6-dimethoxyphenol CHEBI:122021 MolPort-002-083-982 [ Show all ]
Inchi Key	FMKSCNHGTVSCMD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28N2O3/c1-15-6-5-7-18(16(15)2)23-10-8-22(9-11-23)14-17-12-19(25-3)21(24)20(13-17)26-4/h5-7,12-13,24H,8-11,14H2,1-4H3
PubChem CID	1377033
ChEMBL	CHEMBL1511639
IUPHAR	N/A
BindingDB	31038
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
81987	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
81986	5-hydroxytryptamine receptor 1E	P28566	HTR1E	Homo sapiens (Human)	365
81988	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378

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