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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	MLS000521446
Molecular formula	C21H22NO3+
IUPAC name	methyl 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate
Molecular weight	336.411
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	MolPort-007-566-708 CHEMBL1622468 2-[(E)-2-(2-hydroxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylic acid methyl ester;iodide methyl 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate;iodide AKOS001665102 SMR000131854 cid_11957214 2-[(E)-2-(2-hydroxyphenyl)vinyl]-5-(methoxycarbonyl)-1,3,3-trimethyl-3H-indolium BDBM39763 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethyl-5-indol-1-iumcarboxylic acid methyl ester;iodide methyl 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate;iodide [ Show all ]
Inchi Key	CRZMPBDMWJWPBA-UHFFFAOYSA-O
Inchi ID	InChI=1S/C21H21NO3/c1-21(2)16-13-15(20(24)25-4)9-11-17(16)22(3)19(21)12-10-14-7-5-6-8-18(14)23/h5-13H,1-4H3/p+1
PubChem CID	11957215
ChEMBL	N/A
IUPHAR	N/A
BindingDB	39763
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
49276	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319
49277	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418

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