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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	CHEMBL175814
Molecular formula	C21H23ClN6O3S
IUPAC name	(1R,2R,3S,4R,5S)-4-[6-[(3-chlorophenyl)methylamino]-2-methylsulfanylpurin-9-yl]-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide
Molecular weight	474.964
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	1.9
Synonyms	1N-methyl-4-[6-(3-chlorobenzylamino)-2-methylsulfanyl-9H-9-purinyl]-2,3-dihydroxy-(1S,2R,3S,4R,5S)-bicyclo[3.1.0]hexane-1-carboxamide (1S,2R,3S,4R,5S)-4-(6-(3-chlorobenzylamino)-2-(methylthio)-9H-purin-9-yl)-2,3-dihydroxy-N-methylbicyclo[3.1.0]hexane-1-carboxamide BDBM50163027 CHEMBL2112161
Inchi Key	TUKMYFNCYLCVRZ-YIVQXCEWSA-N
Inchi ID	InChI=1S/C21H23ClN6O3S/c1-23-19(31)21-7-12(21)14(15(29)16(21)30)28-9-25-13-17(26-20(32-2)27-18(13)28)24-8-10-4-3-5-11(22)6-10/h3-6,9,12,14-16,29-30H,7-8H2,1-2H3,(H,23,31)(H,24,26,27)/t12-,14-,15+,16+,21-/m1/s1
PubChem CID	71457990
ChEMBL	CHEMBL2112161
IUPHAR	N/A
BindingDB	50163027
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
327778	Adenosine receptor A1	Q60612	Adora1	Mus musculus (Mouse)	326
327779	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
327780	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
327781	Adenosine receptor A2a	Q60613	Adora2a	Mus musculus (Mouse)	410
327782	Adenosine receptor A3	Q61618	Adora3	Mus musculus (Mouse)	319
454716	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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