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GLASS

You can:

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	Cavia porcellus (Guinea pig)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
UniProt	P47745
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	CHEMBL2304404
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	(R-PIa) 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol AC1L1JFU HMS3371L16 S-PIA 2-(hydroxymethyl)-5-[6-(1-phenylpropan-2-ylamino)purin-9-yl]oxolane-3,4-diol L000522 VC30589 (-)-N6-(2-PHENYLISOPROPYL)-ADENOSINE D-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol R-PIA (S)-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol AC1Q4Y36 HMS3373F22 SCHEMBL14829806 2-(hydroxymethyl)-5-{6-[(1-phenylpropan-2-yl)amino]-9H-purin-9-yl}oxolane-3,4-diol ChEMBL_20163 MLS000859990 (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 HMS2232M21 REGID_for_CID_5022 BDBM50006730 L-2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol SMR000326849 ()-N6-(2-Phenylisopropyl)adenosine 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol CTK8H4974 R-N6-(2-phenylisopropyl) adenosine [ 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	0.27 nM	PMID2067592	BindingDB
Ki	0.89 nM	PMID2067592	BindingDB
Ki	4.5 nM	PMID2067592	BindingDB
Ki	16.8 nM	PMID2067592	BindingDB
Ki	33.1 nM	PMID2067592	BindingDB
Ki	66.6 nM	PMID2067592	BindingDB
Ki	386.0 nM	PMID2067592	BindingDB
Ki	1949.84 nM	PMID8386236	PDSP,BindingDB
Ki	2985.0 nM	PMID2067592	BindingDB

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