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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	CHEMBL2064655
Molecular formula	C28H24Cl2N6O3
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[2-(2-chlorophenyl)ethynyl]-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	563.439
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	3.7
Synonyms	BDBM50389147 SCHEMBL10322153
Inchi Key	CYJIIKWKVVDPGM-JIGPFOKVSA-N
Inchi ID	InChI=1S/C28H24Cl2N6O3/c1-31-27(39)28-12-18(28)22(23(37)24(28)38)36-14-33-21-25(32-13-15-5-4-7-17(29)11-15)34-20(35-26(21)36)10-9-16-6-2-3-8-19(16)30/h2-8,11,14,18,22-24,37-38H,12-13H2,1H3,(H,31,39)(H,32,34,35)/t18-,22-,23+,24+,28+/m1/s1
PubChem CID	57523211
ChEMBL	CHEMBL2064655
IUPHAR	N/A
BindingDB	50389147
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
53564	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
443844	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
53563	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
53565	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
53566	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
443843	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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