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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 A2a
Species	Rattus norvegicus (Rat)
Gene	Adora2a
Synonym	A2-AR A2A receptor adenosine receptor A2a RDC8
Disease	N/A for non-human GPCRs
Length	410
Amino acid sequence	MGSSVYITVELAIAVLAILGNVLVCWAVWINSNLQNVTNFFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFFACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGVRAKGIIAICWVLSFAIGLTPMLGWNNCSQKDGNSTKTCGEGRVTCLFEDVVPMNYMVYYNFFAFVLLPLLLMLAIYLRIFLAARRQLKQMESQPLPGERTRSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCSTCRHAPPWLMYLAIILSHSNSVVNPFIYAYRIREFRQTFRKIIRTHVLRRQEPFQAGGSSAWALAAHSTEGEQVSLRLNGHPLGVWANGSATHSGRRPNGYTLGLGGGGSAQGSPRDVELPTQERQEGQEHPGLRGHLVQARVGASSWSSEFAPS
UniProt	P30543
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	CHEMBL302
IUPHAR	19
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	BW-A522 AC1L4TSO CHEMBL355370 PDSP1_001200 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]- BDBM82558 DTXSID40150098 CAS_163889 L001152 AC1Q4PDB CTK4A7858 PDSP2_001184 3-(3-Iodo-4-aminobenzyl)-8-(4-oxyacetate)-1-propylxanthine ACMC-20cvfe BW A522 GTPL446 NSC_163889 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)- 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 3-(4-amino-3-iodobenzyl)-8-[4-[[[carboxy]methyl]oxy]-phenyl]-1-propylxanthine [ 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
Ki	700.0 nM	PMID7932565	BindingDB,ChEMBL

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