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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	CHEMBL2089345
Molecular formula	C32H26ClN5O2
IUPAC name	(1R,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[2-(4-phenylphenyl)ethynyl]purin-9-yl]bicyclo[3.1.0]hexane-2,3-diol
Molecular weight	548.043
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	5.3
Synonyms	BDBM50420426
Inchi Key	IHHSUJKYJJRZKL-FZNLZUNPSA-N
Inchi ID	InChI=1S/C32H26ClN5O2/c33-23-8-4-5-20(15-23)17-34-31-27-32(38(18-35-27)28-24-16-25(24)29(39)30(28)40)37-26(36-31)14-11-19-9-12-22(13-10-19)21-6-2-1-3-7-21/h1-10,12-13,15,18,24-25,28-30,39-40H,16-17H2,(H,34,36,37)/t24-,25+,28+,29+,30-/m0/s1
PubChem CID	70691274
ChEMBL	CHEMBL2089345
IUPHAR	N/A
BindingDB	50420426
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

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
133231	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
133232	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
133230	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
446941	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
133229	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
446940	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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