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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCID 118724634
Molecular formulaC22H31ClN6O3
IUPAC name7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
Molecular weight462.979
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyATMOXDFJUIWWDB-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H30N6O3.ClH/c1-24-20-19(21(29)25(2)22(24)30)28(16-23-20)11-7-6-10-26-12-14-27(15-13-26)17-8-4-5-9-18(17)31-3;/h4-5,8-9,16H,6-7,10-15H2,1-3H3;1H
PubChem CID118724634
ChEMBLCHEMBL3360995
IUPHARN/A
BindingDB50034792
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4421985-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
4421995-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
4422005-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
4422015-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
442197D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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