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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	CHEMBL2064659
Molecular formula	C29H25ClN6O5
IUPAC name	3-[2-[6-[(3-chlorophenyl)methylamino]-9-[(1S,2R,3S,4R,5S)-3,4-dihydroxy-5-(methylcarbamoyl)-2-bicyclo[3.1.0]hexanyl]purin-2-yl]ethynyl]benzoic acid
Molecular weight	573.006
Hydrogen bond acceptor	9
Hydrogen bond donor	5
XlogP	2.6
Synonyms	BDBM50389149 SCHEMBL10322201
Inchi Key	DIERXCKBGFCADG-QPOWYEKBSA-N
Inchi ID	InChI=1S/C29H25ClN6O5/c1-31-28(41)29-12-19(29)22(23(37)24(29)38)36-14-33-21-25(32-13-16-5-3-7-18(30)11-16)34-20(35-26(21)36)9-8-15-4-2-6-17(10-15)27(39)40/h2-7,10-11,14,19,22-24,37-38H,12-13H2,1H3,(H,31,41)(H,39,40)(H,32,34,35)/t19-,22-,23+,24+,29+/m1/s1
PubChem CID	57523215
ChEMBL	CHEMBL2064659
IUPHAR	N/A
BindingDB	50389149
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
60679	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
444095	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
60677	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
60678	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
60680	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
444094	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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