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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	Bos taurus (Bovine)
Gene	ADORA1
Synonym	N/A
Disease	N/A for non-human GPCRs
Length	326
Amino acid sequence	MPPSISAFQAAYIGIEVLIALVSVPGNVLVIWAVKVNQALRDATFCFIVSLAVADVAVGALVIPLAILINIGPRTYFHTCLKVACPVLILTQSSILALLAIAVDRYLRVKIPLRYKTVVTPRRAVVAITGCWILSFVVGLTPMFGWNNLSAVERDWLANGSVGEPVIECQFEKVISMEYMVYFNFFVWVLPPLLLMVLIYMEVFYLIRKQLNKKVSASSGDPQKYYGKELKIAKSLALILFLFALSWLPLHILNCITLFCPSCHMPRILIYIAIFLSHGNSAMNPIVYAFRIQKFRVTFLKIWNDHFRCQPAPPVDEDAPAERPDD
UniProt	P28190
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	CHEMBL4975
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	1,3-Dipropyl-8-phenylxanthine
Molecular formula	C17H20N4O2
IUPAC name	8-phenyl-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	312.373
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	4.0
Synonyms	DB-056886 PDSP1_000990 1H-Purine-2,6,dione, 3,7-dihydro-1,3-dipropyl-8-phenyl- 8-phenyl-1,3-dipropyl-9H-purine-2,6-dione BDBM82025 CAS_128784 LS-126996 SCHEMBL661108 8-Phenyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione AC1L2UFC CHEMBL158507 NCGC00024614-02 Tocris-0486 8-Phenyl-1,3-dipropyl-3,9-dihydro-purine-2,6-dione AKOS027320574 FT-0642015 PDSP2_000974 1H-Purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl- BRD-K41853443-001-01-1 CHEBI:107631 MolPort-023-275-889 SR-01000597618 8-phenyl-1,3-dipropyl-1H-purine-2,6(3H,9H)-dione AC1Q6LCH CLIGSMOZKDCDRZ-UHFFFAOYSA-N NSC_128784 ZINC3995438 8-phenyl-1,3-dipropyl-7H-purine-2,6-dione BDBM50227332 HMS3266E16 SCHEMBL12648449 3,7-Dihydro-1,3-dipropyl-8-phenyl-1H-purine-2,6,dione 85872-53-3 BRD-K41853443-001-02-9 NCGC00024614-01 SR-01000597618-1 8-phenyl-1,3-dipropyl-3,9-dihydro-1h-purine-2,6-dione AKOS024458381 [ Show all ]
Inchi Key	CLIGSMOZKDCDRZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)
PubChem CID	128784
ChEMBL	CHEMBL158507
IUPHAR	N/A
BindingDB	82025
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	0.7 nM	PMID2991519	BindingDB
IC50	0.7 nM	PMID2991519	ChEMBL
IC50	1412540000.0 nM	PMID2991519	ChEMBL

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