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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 ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL3342855
Molecular formulaC19H28N2O5S
IUPAC name3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8lambda6-thiaspiro[4.5]decane 8,8-dioxide
Molecular weight396.502
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP1.2
SynonymsBDBM50099439
Inchi KeyBQWXWYVQIVCGBP-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H28N2O5S/c1-24-18-5-3-2-4-17(18)21-10-8-20(9-11-21)14-16-15-25-19(26-16)6-12-27(22,23)13-7-19/h2-5,16H,6-15H2,1H3
PubChem CID118716702
ChEMBLCHEMBL3342855
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 7
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4428725-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
442868Alpha-1A adrenergic receptorP43140Adra1aRattus norvegicus (Rat)466
442869Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
442866Alpha-1B adrenergic receptorP15823Adra1bRattus norvegicus (Rat)515
442867Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
442870Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572
442871Alpha-1D adrenergic receptorP23944Adra1dRattus norvegicus (Rat)561

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