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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	SMR000104521
Molecular formula	C12H16N6O4
IUPAC name	5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
Molecular weight	308.298
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	-0.7
Synonyms	A2191/0092134 CHEBI:91647 HMS3371J21 REGID_for_CID_2868392 BAS 00485788 ChemDiv2_002128 MLS000108567 ST092443 78647-50-4 BRD-A35338386-001-04-6 HMS2187P21 NCGC00015405-02 [5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]-N-ethylcarboxamide AC1MF9Y7 L000437 SCHEMBL19928417 5-(6-amino-9H-purin-9-yl)-N-ethyl-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name) BCP08034 CTK8F6931 MLS001077284 STK762128 CAS_35920-39-9 HMS3268O07 NSC_448222 AKOS000656214 CHEMBL277076 MCULE-6160962792 5-(6-aminopurin-9-yl)-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide BDBM86761 HMS1375A16 MolPort-001-935-391 ZINC00053379 [ Show all ]
Inchi Key	JADDQZYHOWSFJD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)
PubChem CID	2868392
ChEMBL	CHEMBL277076
IUPHAR	N/A
BindingDB	86761
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
145786	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
145787	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
145789	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
145785	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
145788	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
145790	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319
145791	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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