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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

NameCHEMBL3358498
Molecular formulaC24H27FN4O
IUPAC nameN-[4-[4-(3-fluorophenyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
Molecular weight406.505
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50031360
Inchi KeyAJIGPZIDDACLTM-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H27FN4O/c25-21-8-5-9-22(17-21)29-14-12-28(13-15-29)11-4-3-10-26-24(30)23-16-19-6-1-2-7-20(19)18-27-23/h1-2,5-9,16-18H,3-4,10-15H2,(H,26,30)
PubChem CID118722913
ChEMBLCHEMBL3358498
IUPHARN/A
BindingDB50031360
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4419735-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4419765-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
4419755-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
441974D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
441972D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400

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