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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	PACPX
Molecular formula	C17H20ClN5O2
IUPAC name	8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione
Molecular weight	361.83
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	4.0
Synonyms	1,3-Dipropyl-8-(2-amino-4-chlorophenyl)xanthine AC1L3O2G CTK5F5876 PDSP1_001136 8-(2-amino-4-chlorophenyl)-1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione BDBM82013 LS-177895 SCHEMBL4650748 PAPCX 1H-Purine-2,6-dione, 8-(2-amino-4-chlorophenyl)-3,7-dihydro-1,3-dipropyl AC1Q3SH2 DTXSID90235182 PDSP2_000977 8-(2-amino-4-chlorophenyl)-1,3-dipropyl-7H-purine-2,6-dione C17H20ClN5O2 NSC_92411 SENJBFBVCXOUFE-UHFFFAOYSA-N 85872-51-1 CHEMBL273671 PDSP1_000993 8-(2-Amino-4-chloro-phenyl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione(PACPX) B-256 ET7OKC2MCY PDSP2_001120 8-(2-Amino-4-chlorophenyl)-1,3-dipropylxanthine CAS_92411 UNII-ET7OKC2MCY [ Show all ]
Inchi Key	SENJBFBVCXOUFE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20ClN5O2/c1-3-7-22-15-13(16(24)23(8-4-2)17(22)25)20-14(21-15)11-6-5-10(18)9-12(11)19/h5-6,9H,3-4,7-8,19H2,1-2H3,(H,20,21)
PubChem CID	92411
ChEMBL	CHEMBL273671
IUPHAR	N/A
BindingDB	82013
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	0.05 nM	PMID2991519	BindingDB,ChEMBL
IC50	1096480000.0 nM	PMID2991519	ChEMBL
Ki	0.022 nM	PMID6315938	ChEMBL
Ki	0.3 nM	PMID2997628	PDSP,BindingDB
Ki	22.0 nM	PMID6315938	BindingDB

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