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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	C22H31BrN2O5S
Molecular formula	C22H31BrN2O5S
IUPAC name	4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-4-ethoxycarbonyloctanoic acid;hydrobromide
Molecular weight	515.463
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	None
Synonyms	326472-88-2 MolPort-009-766-061 AKOS030506773 CHEMBL1611545 2-Butyl-2-[2-(4-ethoxy-phenylamino)-thiazol-4-yl]-pentanedioic acid 1-ethyl ester SMR000414149 MLS000777701 [ Show all ]
Inchi Key	AARJBBBRMXBWSZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H30N2O5S.BrH/c1-4-7-13-22(14-12-19(25)26,20(27)29-6-3)18-15-30-21(24-18)23-16-8-10-17(11-9-16)28-5-2;/h8-11,15H,4-7,12-14H2,1-3H3,(H,23,24)(H,25,26);1H
PubChem CID	16682163
ChEMBL	CHEMBL1611545
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
459	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371

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