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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	CHEMBL3407785
Molecular formula	C20H19BrN6O3S
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[2-(5-bromothiophen-2-yl)ethynyl]-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	503.375
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.7
Synonyms	BDBM50069813
Inchi Key	KZZIQBCUVRUILN-AQPYCOETSA-N
Inchi ID	InChI=1S/C20H19BrN6O3S/c1-22-17-13-18(26-12(25-17)6-4-9-3-5-11(21)31-9)27(8-24-13)14-10-7-20(10,19(30)23-2)16(29)15(14)28/h3,5,8,10,14-16,28-29H,7H2,1-2H3,(H,23,30)(H,22,25,26)/t10-,14-,15+,16+,20+/m1/s1
PubChem CID	118730352
ChEMBL	CHEMBL3407785
IUPHAR	N/A
BindingDB	50069813
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

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
448875	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
448874	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
448877	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
448876	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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