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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	MSX-2
Molecular formula	C21H22N4O4
IUPAC name	3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione
Molecular weight	394.431
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.6
Synonyms	261717-18-4 PDSP2_001245 3-(3-hydroxypropyl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-7-methyl-1-prop-2-ynylpurine-2,6-dione DTXSID50434735 AOB5003 NCGC00165831-01 SCHEMBL1755147 3-(3-Hydroxy-propyl)-8-[2-(3-methoxy-phenyl)-vinyl]-7-methyl-1-prop-2-ynyl-3,7-dihydro-purine-2,6-dione(MSX-2) CHEMBL413079 GTPL5610 BDBM50084860 PDSP1_001261 ZINC3822842 3-(3-Hydroxypropyl)-8-(m-methoxystyryl)-7-methyl-1-propargylxanthine D0W4HJ [ Show all ]
Inchi Key	FWLDDFYHEQMIGG-MDZDMXLPSA-N
Inchi ID	InChI=1S/C21H22N4O4/c1-4-11-25-20(27)18-19(24(21(25)28)12-6-13-26)22-17(23(18)2)10-9-15-7-5-8-16(14-15)29-3/h1,5,7-10,14,26H,6,11-13H2,2-3H3/b10-9+
PubChem CID	10046145
ChEMBL	CHEMBL413079
IUPHAR	5610
BindingDB	50084860
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
88985	Adenosine receptor A1	P30542	ADORA1	Homo sapiens (Human)	326
88989	Adenosine receptor A1	P25099	Adora1	Rattus norvegicus (Rat)	326
88983	Adenosine receptor A2a	P30543	Adora2a	Rattus norvegicus (Rat)	410
88987	Adenosine receptor A2a	P29274	ADORA2A	Homo sapiens (Human)	412
88984	Adenosine receptor A2b	P29275	ADORA2B	Homo sapiens (Human)	332
88986	Adenosine receptor A3	P28647	Adora3	Rattus norvegicus (Rat)	320
88988	Adenosine receptor A3	P0DMS8	ADORA3	Homo sapiens (Human)	318

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