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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	CHEMBL2064640
Molecular formula	C22H21ClN6O3
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[2-(2-chlorophenyl)ethynyl]-6-(methylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	452.899
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	1.6
Synonyms	BDBM50389135 SCHEMBL10322105
Inchi Key	HYTZGNCPPKEQEP-YWNJHDJRSA-N
Inchi ID	InChI=1S/C22H21ClN6O3/c1-24-19-15-20(28-14(27-19)8-7-11-5-3-4-6-13(11)23)29(10-26-15)16-12-9-22(12,21(32)25-2)18(31)17(16)30/h3-6,10,12,16-18,30-31H,9H2,1-2H3,(H,25,32)(H,24,27,28)/t12-,16-,17+,18+,22+/m1/s1
PubChem CID	57523654
ChEMBL	CHEMBL2064640
IUPHAR	N/A
BindingDB	50389135
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
127343	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
446688	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
127340	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
127341	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
127342	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
446689	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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