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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	CHEMBL2064658
Molecular formula	C28H26ClN7O3
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[2-(4-aminophenyl)ethynyl]-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	544.012
Hydrogen bond acceptor	8
Hydrogen bond donor	5
XlogP	2.4
Synonyms	SCHEMBL10322544 BDBM50389126
Inchi Key	QIPXFOSNBJEEPA-WANRRHMFSA-N
Inchi ID	InChI=1S/C28H26ClN7O3/c1-31-27(39)28-12-19(28)22(23(37)24(28)38)36-14-33-21-25(32-13-16-3-2-4-17(29)11-16)34-20(35-26(21)36)10-7-15-5-8-18(30)9-6-15/h2-6,8-9,11,14,19,22-24,37-38H,12-13,30H2,1H3,(H,31,39)(H,32,34,35)/t19-,22-,23+,24+,28+/m1/s1
PubChem CID	57523214
ChEMBL	CHEMBL2064658
IUPHAR	N/A
BindingDB	50389126
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
279241	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
279242	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
279240	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
279244	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
279243	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
452732	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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