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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	CHEMBL22023
Molecular formula	C23H28N6O3
IUPAC name	5-[(E)-[[3-[(N'-tert-butyl-N-cyanocarbamimidoyl)amino]phenyl]-pyridin-3-ylmethylidene]amino]oxypentanoic acid
Molecular weight	436.516
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	3.7
Synonyms	5-[2-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethylamino]phenyl}-2-(3-pyridyl)-(E)-1-methyleneaminooxy]pentanoic acid BDBM50075631 5-[2-{3-[1-(tert-butylamino)-2-cyano-(Z)-1-iminomethylamino]phenyl}-2-(3-pyridyl)-(Z)-1-methyleneaminooxy]pentanoic acid
Inchi Key	AKUSUAZJHUIURR-XHLNEMQHSA-N
Inchi ID	InChI=1S/C23H28N6O3/c1-23(2,3)28-22(26-16-24)27-19-10-6-8-17(14-19)21(18-9-7-12-25-15-18)29-32-13-5-4-11-20(30)31/h6-10,12,14-15H,4-5,11,13H2,1-3H3,(H,30,31)(H2,26,27,28)/b29-21+
PubChem CID	44457587
ChEMBL	CHEMBL22023
IUPHAR	N/A
BindingDB	50075631
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
7918	Thromboxane A2 receptor	P21731	TBXA2R	Homo sapiens (Human)	343

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