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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	Oryctolagus cuniculus (Rabbit)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	328
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPETYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKAVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLREVQRAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRRQLSKKASASSGDPHKYYGKELKIAKSLALILFLFALSWLPLHILNCVTLFCPSCQKPSILVYTAIFLTHGNSAMNPIVYAFRIHKFRVTFLKIWNDHFRCRPAPAGDGDEDLPEEKPND
UniProt	P34970
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	CHEMBL3947
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL274022
Molecular formula	C19H23N5O4
IUPAC name	2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol
Molecular weight	385.424
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.0
Synonyms	L-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol SMR000326849 BDBM50006730 R-N6-(2-phenylisopropyl) adenosine ()-N6-(2-Phenylisopropyl)adenosine 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol CTK8H4974 HMS3371L16 S-PIA (R-PIa) 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol AC1L1JFU L000522 VC30589 2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol D-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol R-PIA (-)-N6-(2-PHENYLISOPROPYL)-ADENOSINE HMS3373F22 SCHEMBL14829806 (S)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol AC1Q4Y36 MLS000859990 2-(hydroxymethyl)-5-{6-[(1-phenylpropan-2-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol ChEMBL_20163 HMS2232M21 REGID_for_CID_5022 (R)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol 9-pentofuranosyl-n-(1-phenylpropan-2-yl)-9h-purin-6-amine [ Show all ]
Inchi Key	RIRGCFBBHQEQQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23N5O4/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h2-6,9-11,13,15-16,19,25-27H,7-8H2,1H3,(H,20,21,23)
PubChem CID	5022
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50006730
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.31 nM	PMID2067592	BindingDB
Ki	1.0 nM	PMID8996189	PDSP,BindingDB
Ki	10.3 nM	PMID2067592	BindingDB
Ki	13.5 nM	PMID2067592	BindingDB
Ki	534.0 nM	PMID2067592	BindingDB

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