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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	MLS000533789
Molecular formula	C25H29BrNO3S+
IUPAC name	2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl adamantane-2-carboxylate
Molecular weight	503.475
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	6.9
Synonyms	2-adamantanecarboxylic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester;bromide AKOS024578648 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl adamantane-2-carboxylate;bromide cid_2884325 AC1M4U4N ZINC2947111 2-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl adamantane-2-carboxylate;bromide BDBM57142 5-{2-[(2-adamantylcarbonyl)oxy]ethyl}-3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium bromide adamantane-2-carboxylic acid 2-[3-[2-(4-bromophenyl)-2-keto-ethyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester;bromide 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl adamantane-2-carboxylate CHEMBL1623668 SMR000141227 [ Show all ]
Inchi Key	BRSQDNDGWKZEHK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29BrNO3S/c1-15-23(31-14-27(15)13-22(28)18-2-4-21(26)5-3-18)6-7-30-25(29)24-19-9-16-8-17(11-19)12-20(24)10-16/h2-5,14,16-17,19-20,24H,6-13H2,1H3/q+1
PubChem CID	2267071
ChEMBL	N/A
IUPHAR	N/A
BindingDB	57142
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
31315	C-C chemokine receptor type 6	P51684	CCR6	Homo sapiens (Human)	374
31316	G-protein coupled receptor 55	Q9Y2T6	GPR55	Homo sapiens (Human)	319

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