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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

NameCHEMBL3941102
Molecular formulaC28H31F3N4O2
IUPAC name3-[2-[4-(2-phenylpyridin-3-yl)piperazin-1-yl]ethoxy]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
Molecular weight512.577
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50193404
Inchi KeyADWCVCJMIQYGTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31F3N4O2/c29-28(30,31)24-10-8-22(9-11-24)21-33-26(36)12-19-37-20-18-34-14-16-35(17-15-34)25-7-4-13-32-27(25)23-5-2-1-3-6-23/h1-11,13H,12,14-21H2,(H,33,36)
PubChem CID134146185
ChEMBLCHEMBL3941102
IUPHARN/A
BindingDB50193404
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5479305-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
5479295-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440
5479325-hydroxytryptamine receptor 7P34969HTR7Homo sapiens (Human)479
547931D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443

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