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Ligand

NamePSB-601
Molecular formulaC25H28N6O4S
IUPAC name8-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]-1-propyl-3,7-dihydropurine-2,6-dione
Molecular weight508.597
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.4
Synonyms8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-propyl-1H-purine-2,6(3H,7H)-dione
BN0659
D0A9BZ
8-[4-(4-benzylpiperazide-1-sulfonyl)phenyl]-1-propylxanthine
ZINC35923133
[ Show all ]
Inchi KeyHHNGYTVWOXXKET-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
PubChem CID11605883
ChEMBLCHEMBL212625
IUPHARN/A
BindingDB50190709
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
115100Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326
115103Adenosine receptor A1P25099Adora1Rattus norvegicus (Rat)326
115104Adenosine receptor A2aP29274ADORA2AHomo sapiens (Human)412
115106Adenosine receptor A2aP30543Adora2aRattus norvegicus (Rat)410
115101Adenosine receptor A2bP29275ADORA2BHomo sapiens (Human)332
115105Adenosine receptor A2bP29276Adora2bRattus norvegicus (Rat)332
115102Adenosine receptor A3P0DMS8ADORA3Homo sapiens (Human)318

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