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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

NameCHEMBL3758684
Molecular formulaC23H30ClN3O2
IUPAC name1-(3-chlorophenyl)-3-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]urea
Molecular weight415.962
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM50143393
Inchi KeyAIIBCWUCPICMSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H30ClN3O2/c1-17(2)21-8-3-4-9-22(21)29-15-14-27-12-10-19(11-13-27)25-23(28)26-20-7-5-6-18(24)16-20/h3-9,16-17,19H,10-15H2,1-2H3,(H2,25,26,28)
PubChem CID127026144
ChEMBLCHEMBL3758684
IUPHARN/A
BindingDB50143393
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5216365-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5216375-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479

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