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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

NameCHEMBL1204094
Molecular formulaC24H29N5O2
IUPAC name4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione
Molecular weight419.529
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP1.4
SynonymsSCHEMBL9526873
CHEMBL287168
Wy-47846
BDBM50367729
L001161
Inchi KeyAERLHOTUXIJQFV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3-9,16-21H,1-2,10-15H2
PubChem CID9804072
ChEMBLN/A
IUPHARN/A
BindingDB50367729
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
37825-hydroxytryptamine receptor 1AP19327Htr1aRattus norvegicus (Rat)422
3783D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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