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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

NameSMR000131790
Molecular formulaC23H16N2O4
IUPAC name(3E)-1-(4-hydroxyphenyl)-3-[(4-nitrophenyl)methylidene]-5-phenylpyrrol-2-one
Molecular weight384.391
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.6
SynonymsZINC5073018
AC1NT6FQ
HMS2458A11
(3E)-1-(4-hydroxyphenyl)-3-(4-nitrobenzylidene)-5-phenyl-2-pyrrolin-2-one
BIM-0004097.P001
[ Show all ]
Inchi KeyGQDXXWHROQBAHL-NBVRZTHBSA-N
Inchi IDInChI=1S/C23H16N2O4/c26-21-12-10-19(11-13-21)24-22(17-4-2-1-3-5-17)15-18(23(24)27)14-16-6-8-20(9-7-16)25(28)29/h1-15,26H/b18-14+
PubChem CID5346268
ChEMBLCHEMBL1491719
IUPHARN/A
BindingDB55412
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
102560C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
102561Melanocortin receptor 4P32245MC4RHomo sapiens (Human)332
102562Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
475587Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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