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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

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	DTXSID40150098 BDBM82558 L001152 AC1Q4PDB CAS_163889 CTK4A7858 PDSP2_001184 3-(3-Iodo-4-aminobenzyl)-8-(4-oxyacetate)-1-propylxanthine ACMC-20cvfe GTPL446 BW A522 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)- 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 AKOS030574951 AC1L4TSO BW-A522 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]- [ 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.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
62340	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
62343	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
62345	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
62342	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
62347	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
62346	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
62341	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
62344	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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