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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.
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	I-Abopx
Molecular formula	C23H22IN5O5
IUPAC name	2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid
Molecular weight	575.363
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	4.4
Synonyms	AC1L4TSO BW-A522 2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,6-dioxo-1-propyl-7H-purin-8-yl]phenoxy]acetic acid Acetic acid,2-[4-[3-[(4-amino-3-iodophenyl)methyl]-2,3,6,9-tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl]phenoxy]- CHEMBL355370 PDSP1_001200 BDBM82558 DTXSID40150098 AC1Q4PDB CAS_163889 L001152 3-(3-Iodo-4-aminobenzyl)-8-(4-oxyacetate)-1-propylxanthine ACMC-20cvfe CTK4A7858 PDSP2_001184 BW A522 GTPL446 112533-64-9 Acetic acid, (4-(3-((4-amino-3-iodophenyl)methyl)-2,3,6,7-tetrahydro-2,6-dioxo-1-propyl-1H-purin-8-yl)phenoxy)- NSC_163889 3-(4-amino-3-iodobenzyl)-8-[4-[[[carboxy]methyl]oxy]-phenyl]-1-propylxanthine AKOS030574951 D0X3PD {4-[3-(4-amino-3-iodobenzyl)-2,6-dioxo-1-propyl-2,3,6,9-tetrahydro-1h-purin-8-yl]phenoxy}acetic acid [ Show all ]
Inchi Key	DKJMGIXWGPEEFF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)
PubChem CID	163889
ChEMBL	CHEMBL355370
IUPHAR	446
BindingDB	82558
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Kd	37.0 nM	PMID3351850	BindingDB,ChEMBL

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