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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	CHEMBL126347
Molecular formula	C9H11F2NO3
IUPAC name	3,6-difluoro-4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol
Molecular weight	219.188
Hydrogen bond acceptor	6
Hydrogen bond donor	4
XlogP	0.1
Synonyms	3,6-difluoro-4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol KCSBHJHUGQEHSD-UHFFFAOYSA-N alpha-[(Methylamino)methyl]-2,5-difluoro-3,4-dihydroxybenzenemethanol 3,6-Difluoro-4-(1-hydroxy-2-methylamino-ethyl)-benzene-1,2-diol(2,5-DiFEPI) BDBM50042999 3,6-Difluoro-4-[1-hydroxy-2-(methylamino)ethyl]-1,2-benzenediol # AC1LBSVC Benzeneethanamine, 2,5-difluoro-.beta.,3,4-trihydroxy-N-methyl- [ Show all ]
Inchi Key	KCSBHJHUGQEHSD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H11F2NO3/c1-12-3-6(13)4-2-5(10)8(14)9(15)7(4)11/h2,6,12-15H,3H2,1H3
PubChem CID	541614
ChEMBL	CHEMBL126347
IUPHAR	N/A
BindingDB	50042999
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
166018	Beta-1 adrenergic receptor	P18090	Adrb1	Rattus norvegicus (Rat)	466
166019	Beta-2 adrenergic receptor	P10608	Adrb2	Rattus norvegicus (Rat)	418

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