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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Adenosine receptor A1
Species	Rattus norvegicus (Rat)
Gene	Adora1
Synonym	A1 receptor A1-AR A1R adenosine receptor A1 RDC7
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPYISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTQRRAAVAIAGCWILSLVVGLTPMFGWNNLSVVEQDWRANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCQKPSILIYIAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCQPKPPIDEDLPEEKAED
UniProt	P25099
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL318
IUPHAR	18
DrugBank	N/A

Ligand

Name	2'-O-Methyladenosine
Molecular formula	C11H15N5O4
IUPAC name	(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
Molecular weight	281.272
Hydrogen bond acceptor	8
Hydrogen bond donor	3
XlogP	-0.5
Synonyms	CHEMBL73237 K-6125 TC-152797 (2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxytetrahydrofuran-3-ol 2'-O-Me-A 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol AKOS016003815 AX8019363 CTK1A7124 PDSP1_001054 (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol 2'-O-METHYL-ADENOSINE AC1L2SDS CHEBI:69426 FPUGCISOLXNPPC-IOSLPCCCSA-N SCHEMBL25936 (2R,3R,4R,5R)-2-Hydroxymethyl-4-methoxy-5-(6-methylamino-purin-9-yl)-tetrahydro-furan-3-ol 140M796 2-O-Methyladenosine AJ-45572 AN-8216 cordysinin B MFCD00056002 UNII-02YX82IHZ5 (2R,3R,4R,5R)-5-(6-Amino-purin-9-yl)-2-hydroxymethyl-4-methoxy-tetrahydro-furan-3-ol 2'-O-Me-Ado BCP17411 DS-14586 PDSP2_001038 02YX82IHZ5 2'-O-Methyl-D-adenosine AC1Q4Y1K HG1274 ST24033989 (2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol 2''-O-Methyladenosine 2140-79-6 AK-54699 ANW-64052 CS-W012268 MolPort-009-198-191 ZINC3776540 (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol 2'-O-Methyl adenosine AC-8216 BDBM50144945 DTXSID50175671 SC-43502 0883AB Adenosine, 2'-O-methyl- [ Show all ]
Inchi Key	FPUGCISOLXNPPC-IOSLPCCCSA-N
Inchi ID	InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1
PubChem CID	102213
ChEMBL	CHEMBL73237
IUPHAR	N/A
BindingDB	50144945
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Displacement	29.0 %	PMID7707320	ChEMBL
Ki	29.4 nM	PMID8022403	BindingDB

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