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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Adenosine receptor A1
Species	Bos taurus (Bovine)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProt	P28190
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	CHEMBL4975
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	(R)-PIA
Molecular formula	C19H23N5O4
IUPAC name	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol
Molecular weight	385.424
Hydrogen bond acceptor	8
Hydrogen bond donor	4
XlogP	2.0
Synonyms	(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenylpropan-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol AC1L3PQ7 CHEMBL139000 L-2-N6-(Phenylisopropyl)adenosine N6-(L-2-Phenylisopropyl)adenosine PDSP1_000444 R-(-)-PIA (-)-n6-(2-phenylisopropyl) adenosine (R)-(Phenylisopropyl)adenosine 29-36-7 AKOS030530544 D0M3CG L-PIA N6-[(R)-1-Methyl-2-phenylethyl]ado (R-PIA) PDSP2_000442 REGID_for_CID_93205 TH 162 (-)-N6-(2-Phenylisopropyl)adenosine, solid (R)-N6-(2-Phenylisopropyl)adenosine C19H23N5O4 GTPL414 MLS002153162 NCGC00162295-03 R(-)-N(sup 6)-2-Phenylisopropyladenosine (-)-(Phenylisopropyl)adenosine (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenylpropan-2-ylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol 129601-64-5 Adenosine, N-(1-methyl-2-phenylethyl)-, (R)- CTK8F1415 l-N(sup 6)-Phenylisopropyladenosine N6-(R)-Phenylisopropyladenosine PDSP1_001029 R-N6-(phenylisopropyl)adenosine (-)-N6-(2-PHENYLISOPROPYL)-ADENOSINE (R)-N-(1-Methyl-2-phenylethyl)adenosine 31747-27-0 BDBM50118810 EINECS 254-028-5 LS-15160 NCGC00162295-01 PDSP2_001013 SCHEMBL8907369 ZINC4475322 (-)-PIA (R)-N6-Phenylisopropyladenosine HMS2235H09 N-(1-methyl-2-phenylethyl)adenosine, (R)-isomer PDSP1_000297 R-(-)-N6-(2-Phenyl-isopropyl)adenosine (-)-N-(alpha-Methylphenethyl)adensoine (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(2R)-1-phenylpropan-2-yl]amino]purin-9-yl]oxolane-3,4-diol 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol Adenosine, N-[(1R)-1-methyl-2-phenylethyl]- D05LFC l-Phenylisopropyladenosine N6-D-Phenylisopropyladenosine PDSP2_000295 R-PIA (-)-N6-(2-Phenylisopropyl)adenosine (R)-N6-(1-Methyl-2-phenylethyl)adenosine 38594-96-6 BRN 4912716 FT-0639482 MFCD00069194 NCGC00162295-02 Phenylisopropyladenosine, L- SMR001230656 [ Show all ]
Inchi Key	RIRGCFBBHQEQQH-SSFGXONLSA-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)/t11-,13-,15-,16-,19-/m1/s1
PubChem CID	93205
ChEMBL	CHEMBL139000
IUPHAR	414
BindingDB	50118810
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	0.25 nM	PMID6279840	BindingDB,ChEMBL
Ki	0.6 nM	PMID10956189, PMID9572897	BindingDB,ChEMBL
Ki	0.6 nM	PMID9572897	BindingDB
Ki	4.2 nM	PMID11462973	BindingDB,ChEMBL
Ki	19.9 nM	PMID11462973	BindingDB,ChEMBL

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