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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

NameCHEMBL1796029
Molecular formulaC23H26ClN3O2
IUPAC name1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-4-phenylpiperidine-2,6-dione
Molecular weight411.93
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50418748
Inchi KeyBNIMVTLJBJEXOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H26ClN3O2/c24-20-8-4-5-9-21(20)26-13-10-25(11-14-26)12-15-27-22(28)16-19(17-23(27)29)18-6-2-1-3-7-18/h1-9,19H,10-17H2
PubChem CID53328116
ChEMBLCHEMBL1796029
IUPHARN/A
BindingDB50418748
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
28152Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
28151Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
28153Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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