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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	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	1,3-Dipropylxanthine
Molecular formula	C11H16N4O2
IUPAC name	1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	236.275
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.9
Synonyms	ZINC4654890 1,3-dipropyl-7H-purine-2,6-dione AC1L53IX CAS_169317 DTXSID00185447 PDSP1_000983 1,3-di-n-propylxanthine 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl- AKOS016004647 CTK4G7324 J-018455 PDSP2_000967 1,3-Dipropyl-3,7-dihydro-purine-2,6-dione BDBM50227331 D0R3DN NSC_169317 UNII-Z02T66W92D 1,3-dipropyl-xanthine AC1Q6LGS FT-0667703 PDSP1_001233 1,3-Dipropyl-1H-purine-2,6(3H,7H)-dione 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dipropyl- ANW-66126 Cystic fibrosis therapy (CPX), SciClone L000861 PDSP2_001217 1,3-Dipropyl-3,9-dihydro-purine-2,6-dione BDBM82032 DB-068477 PDSP1_000328 Z02T66W92D AJ-51820 CHEMBL157655 GTPL427 PDSP2_000326 1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione 31542-62-8 AX8236472 D03KKK MJVIGUCNSRXAFO-UHFFFAOYSA-N SCHEMBL515771 [ Show all ]
Inchi Key	MJVIGUCNSRXAFO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H16N4O2/c1-3-5-14-9-8(12-7-13-9)10(16)15(6-4-2)11(14)17/h7H,3-6H2,1-2H3,(H,12,13)
PubChem CID	169317
ChEMBL	CHEMBL157655
IUPHAR	427
BindingDB	82032
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1500.0 nM	PMID6090665	BindingDB,ChEMBL
Kb	710.0 nM	PMID3346878	ChEMBL
Ki	450.0 nM	PMID3010074, PMID2754711, PMID1613758, PMID1548682, PMID2795597	BindingDB,ChEMBL
Ki	700.0 nM	PMID8410976, PMID3172141, PMID3806581, PMID8230124, PMID8182711, PMID2984420	BindingDB,ChEMBL
Ki	710.0 nM	PMID2724296	BindingDB,ChEMBL
Ki	1600.0 nM	PMID2724296	BindingDB,ChEMBL

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