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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.
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GPCR

Name	Adenosine receptor A1
Species	Homo sapiens (Human)
Gene	ADORA1
Synonym	RDC7 A1 receptor A1-AR A1R adenosine receptor A1
Disease	Cardiac arrhythmias Hypertension Cardiac disease Cognitive disorders Diabetes Fatigue; Orthostatic hypotension Glaucoma Heart failure Autoimmune diabetes Atrial fibrillation; Cardiac arrhythmias Atrial fibrillation Sepsis Renal failure Parkinson's disease Neuropathic pain Acute and chronic heart failure Multiple scierosis Hypertriglyceridemia Allergy Asthma Hyperlipidaemia [ Show all ]
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
UniProt	P30542
Protein Data Bank	6d9h, 5n2s
GPCR-HGmod model	P30542
3D structure model	This structure is from PDB ID 6d9h.
BioLiP	BL0385576, BL0417675
Therapeutic Target Database	T88714, T92072
ChEMBL	CHEMBL226
IUPHAR	18
DrugBank	BE0000013

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	Adenosine, 2'-O-methyl- BDBM50144945 DTXSID50175671 SC-43502 0883AB 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol AKOS016003815 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 2'-O-METHYL-ADENOSINE AC1L2SDS AX8019363 CTK1A7124 PDSP1_001054 (2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol 2-O-Methyladenosine AJ-45572 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 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 2'-O-Methyl-D-adenosine AC1Q4Y1K BCP17411 DS-14586 PDSP2_001038 02YX82IHZ5 2140-79-6 AK-54699 HG1274 ST24033989 (2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-(hydroxymethyl)-4-methoxy-tetrahydrofuran-3-ol 2''-O-Methyladenosine 2'-O-Methyl adenosine AC-8216 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 [ 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
EC50	<3000.0 nM	PMID17560111	BindingDB,ChEMBL
IC50	<3000.0 nM	PMID17560111	BindingDB,ChEMBL

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