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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.
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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-Dipropyl-7-methylxanthine
Molecular formula	C12H18N4O2
IUPAC name	7-methyl-1,3-dipropylpurine-2,6-dione
Molecular weight	250.302
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.7
Synonyms	DTXSID60185448 Lopac0_000417 NCGC00015305-05 SMR001254091 ZINC2516057 AC1L4PY2 C-15430 HMS2232K22 MLS002172458 NCGC00093841-03 ST24033125 7-methyl-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione AKOS015914418 CD-783 J-018456 NCGC00015305-03 S-6485 VZ20603 1H-Purine-2,6-dione,3,7-dihydro-7-methyl-1,3-dipropyl- 7-Methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione BDBM50001500 CTK4G7325 EU-0100417 LP00417 NCGC00093841-01 SR-01000075845 542D639 AC1Q6LFY CC-03192 HMS3261C16 NCGC00015305-01 NCGC00261102-01 TL8002419 1,3-Dipropyl-7-methylxanthine, solid 7-methyl-1,3-dipropyl-3,7-dihydro-1h-purin-2,6-dion ANW-48715 Lopac-D-108 NCGC00015305-04 SCHEMBL316911 W5353 31542-63-9 7-methyl-1,3-dipropylpurine-2,6-dione BR-23547 DB-048065 FT-0606723 MFCD00055219 NCGC00093841-02 SR-01000075845-1 7-Methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione AJ-36946 CCG-204509 HMS3373A22 NCGC00015305-02 PubChem9451 Tox21_500417 1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-1,3-dipropyl- 7-methyl-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione AX8000923 CHEMBL278332 [ Show all ]
Inchi Key	QVAYTZAGDQIWMB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3
PubChem CID	161713
ChEMBL	CHEMBL278332
IUPHAR	N/A
BindingDB	50001500
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	3400.0 nM	PMID2724296	BindingDB,ChEMBL
Ki	7000.0 nM	PMID3806581, PMID8182711	BindingDB,ChEMBL
Ki	12000.0 nM	PMID2724296	BindingDB,ChEMBL

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