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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	Cavia porcellus (Guinea pig)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPHSVSAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIASLAVADVAVGALVIPLAILINIGPQTYFHTCLMVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAAVAIAGCWILSLVVGLTPMFGWNNLSKIEMAWAANGSVGEPVIKCEFEKVISMEYMVYFNFFVWVLPPLLLMVLIYLEVFYLIRKQLSKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPTCHKPTILTYIAIFLTHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPEPPIDEDLPEEKVDD
UniProt	P47745
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	CHEMBL2304404
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	1-Methyl-3-butylxanthine
Molecular formula	C10H14N4O2
IUPAC name	3-butyl-1-methyl-7H-purine-2,6-dione
Molecular weight	222.248
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	1.3
Synonyms	AC1Q6LGO SCHEMBL1331789 1H-Purine-2,6-dione,3-butyl-3,9-dihydro-1-methyl- CHEMBL130969 3-Butyl-1-methyl-3,7-dihydro-purine-2,6-dione LS-126620 1H-Purine-2,6-dione, 3,7-dihydro-3-butyl-1-methyl- BDBM50001511 Xanthine, 3-butyl-1-methyl- 3,7-Dihydro-3-butyl-1-methyl-1H-purine-2,6-dione CTK4G7321 1-methyl-3-butylisoxanthine 3-butyl-1-methyl-7H-purine-2,6-dione AC1L53IU SC 2764 1H-Purine-2,6-dione, 3-butyl-3,9-dihydro-1-methyl- 3-butyl-1-methyl-3,7-dihydro-1h-purine-2,6-dione 31542-48-0 DTXSID80185445 [ Show all ]
Inchi Key	KYWKJKVQLGANBH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H14N4O2/c1-3-4-5-14-8-7(11-6-12-8)9(15)13(2)10(14)16/h6H,3-5H2,1-2H3,(H,11,12)
PubChem CID	169316
ChEMBL	CHEMBL130969
IUPHAR	N/A
BindingDB	50001511
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC15	2.2 uM	PMID1331453	ChEMBL
Ki	1900.0 nM	PMID1331453	BindingDB,ChEMBL

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