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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	CHEMBL570593
Molecular formula	C27H30N2O4
IUPAC name	3-[3-cyano-4-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]phenyl]propanoic acid
Molecular weight	446.547
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	1.9
Synonyms	BDBM50299546 SCHEMBL6377127 3-{3-Cyano-4-[((2R)-3-{[1,1-dimethyl-2-(2-naphthalenyl)ethyl]-amino}-2-hydroxypropyl)oxy]phenyl}propanoic Acid ZINC45261420
Inchi Key	BKMZXLKUUMOTKA-XMMPIXPASA-N
Inchi ID	InChI=1S/C27H30N2O4/c1-27(2,15-20-7-10-21-5-3-4-6-22(21)14-20)29-17-24(30)18-33-25-11-8-19(9-12-26(31)32)13-23(25)16-28/h3-8,10-11,13-14,24,29-30H,9,12,15,17-18H2,1-2H3,(H,31,32)/t24-/m1/s1
PubChem CID	24769038
ChEMBL	CHEMBL570593
IUPHAR	N/A
BindingDB	50299546
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
25935	Beta-2 adrenergic receptor	P07550	ADRB2	Homo sapiens (Human)	413
25934	Extracellular calcium-sensing receptor	P41180	CASR	Homo sapiens (Human)	1078

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