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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	CHEMBL105434
Molecular formula	C13H19NO3
IUPAC name	1-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-isochromene-5,6-diol
Molecular weight	237.299
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	1.3
Synonyms	1-[(Isopropylamino)methyl]-3,4-dihydro-1H-2-benzopyran-5,6-diol 1-(Isopropylamino-methyl)-isochroman-5,6-diol BDBM50041913
Inchi Key	MQBIFSRHBOTBBZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H19NO3/c1-8(2)14-7-12-9-3-4-11(15)13(16)10(9)5-6-17-12/h3-4,8,12,14-16H,5-7H2,1-2H3
PubChem CID	12828570
ChEMBL	CHEMBL105434
IUPHAR	N/A
BindingDB	50041913
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
211594	Beta-1 adrenergic receptor	P18090	Adrb1	Rattus norvegicus (Rat)	466
211593	Beta-2 adrenergic receptor	Q28044	ADRB2	Bos taurus (Bovine)	418
211595	Beta-2 adrenergic receptor	Q8K4Z4	Adrb2	Cavia porcellus (Guinea pig)	418

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