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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	CHEMBL93131
Molecular formula	C20H23BrN2O2
IUPAC name	(2S)-2-amino-1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propan-1-one
Molecular weight	403.32
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.4
Synonyms	(2S)-1-(7-Bromo-1,2,3,4-tetrahydroisoquinoline-2-yl)-2-amino-3-(2,6-dimethyl-4-hydroxyphenyl)-1-propanone BDBM50218554
Inchi Key	AODUHUQHBSDMHI-IBGZPJMESA-N
Inchi ID	InChI=1S/C20H23BrN2O2/c1-12-7-17(24)8-13(2)18(12)10-19(22)20(25)23-6-5-14-3-4-16(21)9-15(14)11-23/h3-4,7-9,19,24H,5-6,10-11,22H2,1-2H3/t19-/m0/s1
PubChem CID	44325588
ChEMBL	CHEMBL93131
IUPHAR	N/A
BindingDB	50218554
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
10154	Delta-type opioid receptor	P32300	Oprd1	Mus musculus (Mouse)	372
10155	Mu-type opioid receptor	P97266	OPRM1	Cavia porcellus (Guinea pig)	98

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