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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

NameCHEMBL3409037
Molecular formulaC30H48N4O2
IUPAC name1-[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]-7-[4-(2-propan-2-ylphenyl)piperazin-1-yl]heptan-1-one
Molecular weight496.74
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50070614
Inchi KeyAIYQDXGDHMXECI-NDEPHWFRSA-N
Inchi IDInChI=1S/C30H48N4O2/c1-25(2)26-13-7-8-14-27(26)32-23-21-31(22-24-32)17-9-4-3-6-16-29(35)34-20-12-15-28(34)30(36)33-18-10-5-11-19-33/h7-8,13-14,25,28H,3-6,9-12,15-24H2,1-2H3/t28-/m0/s1
PubChem CID118731354
ChEMBLCHEMBL3409037
IUPHARN/A
BindingDB50070614
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4419515-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4419535-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4419545-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
4419525-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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