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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	CHEMBL2402023
Molecular formula	C27H25N5O5S
IUPAC name	4-[2-[[9-[(1S,2R,3S,4R,5R)-3,4-dihydroxy-2-bicyclo[3.1.0]hexanyl]-2-(2-phenylethynyl)purin-6-yl]amino]ethyl]benzenesulfonic acid
Molecular weight	531.587
Hydrogen bond acceptor	9
Hydrogen bond donor	4
XlogP	2.3
Synonyms	BDBM50437191
Inchi Key	ODDDHQVHKBFNES-IRYUZJHDSA-N
Inchi ID	InChI=1S/C27H25N5O5S/c33-24-20-14-19(20)23(25(24)34)32-15-29-22-26(28-13-12-17-6-9-18(10-7-17)38(35,36)37)30-21(31-27(22)32)11-8-16-4-2-1-3-5-16/h1-7,9-10,15,19-20,23-25,33-34H,12-14H2,(H,28,30,31)(H,35,36,37)/t19-,20+,23+,24+,25-/m0/s1
PubChem CID	71764236
ChEMBL	CHEMBL2402023
IUPHAR	N/A
BindingDB	50437191
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
238310	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
238312	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
238308	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
238311	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
238309	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
451066	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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