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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	CHEMBL2064660
Molecular formula	C34H29ClN6O3
IUPAC name	(1S,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-[2-(4-phenylphenyl)ethynyl]purin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	605.095
Hydrogen bond acceptor	7
Hydrogen bond donor	4
XlogP	4.7
Synonyms	SCHEMBL10322316 BDBM50389150 MRS-5679
Inchi Key	XMUDTSDEEPCGFL-HDFRBTCWSA-N
Inchi ID	InChI=1S/C34H29ClN6O3/c1-36-33(44)34-17-25(34)28(29(42)30(34)43)41-19-38-27-31(37-18-21-6-5-9-24(35)16-21)39-26(40-32(27)41)15-12-20-10-13-23(14-11-20)22-7-3-2-4-8-22/h2-11,13-14,16,19,25,28-30,42-43H,17-18H2,1H3,(H,36,44)(H,37,39,40)/t25-,28-,29+,30+,34+/m1/s1
PubChem CID	57523251
ChEMBL	CHEMBL2064660
IUPHAR	N/A
BindingDB	50389150
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
395903	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
457430	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
395904	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
457431	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
395905	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
457429	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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