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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	CHEMBL3612931
Molecular formula	C21H21ClN6O3S
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[2-(5-chlorothiophen-2-yl)ethynyl]-6-(ethylamino)purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	472.948
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.0
Synonyms	BDBM50116883
Inchi Key	QINHVPXTCNLQAU-RUZZFIIFSA-N
Inchi ID	InChI=1S/C21H21ClN6O3S/c1-3-24-18-14-19(27-13(26-18)7-5-10-4-6-12(22)32-10)28(9-25-14)15-11-8-21(11,20(31)23-2)17(30)16(15)29/h4,6,9,11,15-17,29-30H,3,8H2,1-2H3,(H,23,31)(H,24,26,27)/t11-,15-,16+,17+,21+/m1/s1
PubChem CID	122188570
ChEMBL	CHEMBL3612931
IUPHAR	N/A
BindingDB	50116883
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
497447	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
497443	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
497444	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
497445	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
497446	Adenosine receptor A3	Q28309	ADORA3	Canis lupus familiaris (Dog)	314

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