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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

NameCHEMBL3933055
Molecular formulaC25H27N3O6S
IUPAC name(2S,4S)-N,2-dibenzyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide
Molecular weight497.566
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.2
SynonymsSCHEMBL15713706
Inchi KeyIOYPJOJXHIZGKH-GMAHTHKFSA-N
Inchi IDInChI=1S/C25H27N3O6S/c29-23(18-27-35(33,34)24-13-11-22(12-14-24)28(31)32)16-21(15-19-7-3-1-4-8-19)25(30)26-17-20-9-5-2-6-10-20/h1-14,21,23,27,29H,15-18H2,(H,26,30)/t21-,23-/m0/s1
PubChem CID90153913
ChEMBLCHEMBL3933055
IUPHARN/A
BindingDBN/A
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
539494Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438

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