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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	8-(p-Sulfophenyl)theophylline
Molecular formula	C13H12N4O5S
IUPAC name	4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid
Molecular weight	336.322
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	1.6
Synonyms	Benzenesulfonic acid, 4-(2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)- DTXSID90230152 MolPort-006-068-692 NCGC00093625-03 SR-01000075188 8-(4-Sulfophenyl)theophylline Lopac-A-013 NCGC00015000-03 PDSP1_000449 Tox21_500135 4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)benzenesulfonic acid 8-(P-Sulfophenyl)Thiophylline AC1Q6X0T ALBB-009371 CTK6I1750 LS-191126 NCGC00093625-01 R3401 4-(1,3-dimethyl-2,6-dioxo-9H-purin-8-yl)benzenesulfonic acid 8-Sulphophenyltheophylline CAS_80206-91-3 EU-0100135 NCGC00015000-01 NCGC00260820-01 SR-01000075188-1 8-(p-Sulfophenyl)-theophylline A-013 CHEMBL8488 Lopac0_000135 NCGC00015000-04 PDSP2_000447 ZINC5322904 4-(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)benzenesulfonic acid 8-SPT AKOS005172213 BDBM82023 D09QLB LXJSJIXZOAMHTG-UHFFFAOYSA-N NCGC00093625-02 SCHEMBL1320226 4-(2,3,6,7-Tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl)benzenesulfonic acid 80206-91-3 CCG-204230 HMS3260K12 NCGC00015000-02 NSC_1908 STK505874 4-(1,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid AC1L1CI3 CTK3E8290 LP00135 NCGC00015000-05 Psp-theophylline ZX-AN008233 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid 8-sulfophenyl theophylline AKOS027385867 [ Show all ]
Inchi Key	LXJSJIXZOAMHTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C13H12N4O5S/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)7-3-5-8(6-4-7)23(20,21)22/h3-6H,1-2H3,(H,14,15)(H,20,21,22)
PubChem CID	1908
ChEMBL	CHEMBL8488
IUPHAR	N/A
BindingDB	82023
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
198800	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
198801	Adenosine receptor A1	P28190	ADORA1	Bos taurus (Bovine)	326
198805	Adenosine receptor A1	P34970	ADORA1	Oryctolagus cuniculus (Rabbit)	328
198804	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
198807	Adenosine receptor A2a	P46616	ADORA2A	Cavia porcellus (Guinea pig)	409
556269	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
198806	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
198802	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318
198803	Adenosine receptor A3	O02667	ADORA3	Oryctolagus cuniculus (Rabbit)	319
449526	D(1A) dopamine receptor	P21728	DRD1	Homo sapiens (Human)	446
198808	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460

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