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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	Homo sapiens (Human)
Gene	ADORA1
Synonym	RDC7 A1 receptor A1-AR A1R adenosine receptor A1
Disease	Cardiac arrhythmias Hypertension Cardiac disease Cognitive disorders Diabetes Fatigue; Orthostatic hypotension Glaucoma Heart failure Autoimmune diabetes Atrial fibrillation; Cardiac arrhythmias Atrial fibrillation Sepsis Renal failure Parkinson's disease Neuropathic pain Acute and chronic heart failure Multiple scierosis Hypertriglyceridemia Allergy Asthma Hyperlipidaemia [ Show all ]
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKMVVTPRRAAVAIAGCWILSFVVGLTPMFGWNNLSAVERAWAANGSMGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHKPSILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPIDEDLPEERPDD
UniProt	P30542
Protein Data Bank	6d9h, 5n2s
GPCR-HGmod model	P30542
3D structure model	This structure is from PDB ID 6d9h.
BioLiP	BL0385576, BL0417675
Therapeutic Target Database	T88714, T92072
ChEMBL	CHEMBL226
IUPHAR	18
DrugBank	BE0000013

Ligand

Name	7-propyltheophylline
Molecular formula	C10H14N4O2
IUPAC name	1,3-dimethyl-7-propylpurine-2,6-dione
Molecular weight	222.248
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	0.4
Synonyms	CTK0J2419 SR-01000317962 1,3-dimethyl-7-propyl-3,7-dihydro-1H-purine-2,6-dione AKOS000722155 HGFWMGARSDHJFP-UHFFFAOYSA-N STK838961 1,3-dimethyl-7-propylxanthine MolPort-001-826-239 ZINC380547 1,3-dimethyl-7-propyl-1H-purine-2,6(3H,7H)-dione AC1LI13K DTXSID20357200 SR-01000317962-1 1,3-Dimethyl-7-propyl-3,7-dihydro-purine-2,6-dione BAS 01547067 HMS1682I09 Theophylline, n-propyl derivative 1,3-dimethyl-7-n-propylxanthine 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-propyl- 7-Propyltheophyline CHEMBL26455 SCHEMBL8443037 1,3-dimethyl-7-propyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione AC1Q2XWG F3259-0260 ST50253912 1,3-dimethyl-7-propylpurine-2,6-dione 27760-74-3 BDBM50025583 MCULE-1660387714 VU0407630-2 1,3-dimethyl-7-propyl-1,3,7-trihydropurine-2,6-dione [ Show all ]
Inchi Key	HGFWMGARSDHJFP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h6H,4-5H2,1-3H3
PubChem CID	847168
ChEMBL	CHEMBL26455
IUPHAR	N/A
BindingDB	50025583
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Selectivity ratio	1.9 -	PMID3806581	ChEMBL

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