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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	DPMA
Molecular formula	C27H31N5O6
IUPAC name	(2R,3R,4S,5R)-2-[6-[[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Molecular weight	521.574
Hydrogen bond acceptor	10
Hydrogen bond donor	4
XlogP	3.3
Synonyms	CTK4B1869 SCHEMBL788809 AKOS030573756 GTPL418 120442-40-2 CGS 24012 n6-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]adenosine Adenosine, N-[2-(3,5-dimethoxyphenyl)-2-(2-methylp D02UHS (2R,3R,4S,5R)-2-(6-(2-(3,5-dimethoxyphenyl)-2-o-tolylethylamino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol BDBM50452520 Cgs-24012 N-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]adenosine CHEMBL2094089 SC-65560 Adenosine,N-[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]- (2R,3R,4S,5R)-2-[6-[[2-(3,5-dimethoxyphenyl)-2-(2-methylphenyl)ethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol C-54316 CGS24012 N6-[2-(3,5-Dimethoxyphenyl)-2-(-2-methylphenyl)ethyl]adenosine [ Show all ]
Inchi Key	BUHVIAUBTBOHAG-FOYDDCNASA-N
Inchi ID	InChI=1S/C27H31N5O6/c1-15-6-4-5-7-19(15)20(16-8-17(36-2)10-18(9-16)37-3)11-28-25-22-26(30-13-29-25)32(14-31-22)27-24(35)23(34)21(12-33)38-27/h4-10,13-14,20-21,23-24,27,33-35H,11-12H2,1-3H3,(H,28,29,30)/t20?,21-,23-,24-,27-/m1/s1
PubChem CID	10391971
ChEMBL	CHEMBL2094089
IUPHAR	418
BindingDB	50452520
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	64.0 nM	PMID1495019	BindingDB,ChEMBL
Ki	103.0 nM	PMID1732541	BindingDB,ChEMBL
Ki	108.0 nM	PMID1613750	BindingDB,ChEMBL
Ki	118.0 nM	PMID3385722	BindingDB,ChEMBL
Ki	142.0 nM	PMID2754691, PMID1738138, PMID3385722	BindingDB,ChEMBL
Ki	188.0 nM	PMID3385722	ChEMBL

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