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GLASS

You can:

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	Theophylline, 7-(2-propynyl)-
Molecular formula	C10H10N4O2
IUPAC name	1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione
Molecular weight	218.216
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	-0.2
Synonyms	1,3-dimethyl-7-prop-2-ynylpurine-2,6-dione AKOS033057549 NSC 515504 NV128EH6B5 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-(2-propyn-1-yl)- CHEMBL24049 UNII-NV128EH6B5 AC1L2QT1 MCULE-9838069269 1,3-dimethyl-7-propargylxanthine BDBM50025576 NSC-515504 SCHEMBL316763 CTK4C2488 ZINC1004419 1,3-Dimethyl-7-prop-2-ynyl-3,7-dihydro-purine-2,6-dione AC1Q6LDS MolPort-019-736-128 14114-45-5 NSC515504 7-Propargyl 1,3-dimethylxanthine DTXSID70161576 [ Show all ]
Inchi Key	DKHAOCKWCMAXNV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H10N4O2/c1-4-5-14-6-11-8-7(14)9(15)13(3)10(16)12(8)2/h1,6H,5H2,2-3H3
PubChem CID	101422
ChEMBL	CHEMBL24049
IUPHAR	N/A
BindingDB	50025576
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	12000.0 nM	PMID3806581	BindingDB,ChEMBL

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