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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	CHEMBL257785
Molecular formula	C28H33ClN8O4
IUPAC name	(1S,2R,3S,4R,5S)-4-[2-[6-(2-aminoethylamino)-6-oxohex-1-ynyl]-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	581.074
Hydrogen bond acceptor	9
Hydrogen bond donor	6
XlogP	0.4
Synonyms	MRS-5166 BDBM50377676
Inchi Key	YREVRKNBIMSBSA-JIGPFOKVSA-N
Inchi ID	InChI=1S/C28H33ClN8O4/c1-31-27(41)28-13-18(28)22(23(39)24(28)40)37-15-34-21-25(33-14-16-6-5-7-17(29)12-16)35-19(36-26(21)37)8-3-2-4-9-20(38)32-11-10-30/h5-7,12,15,18,22-24,39-40H,2,4,9-11,13-14,30H2,1H3,(H,31,41)(H,32,38)(H,33,35,36)/t18-,22-,23+,24+,28+/m1/s1
PubChem CID	44448982
ChEMBL	CHEMBL257785
IUPHAR	N/A
BindingDB	50377676
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. 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
417310	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
417311	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
417307	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
417309	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
417308	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
458267	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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