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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

NameCHEMBL3923227
Molecular formulaC22H27N3O7S
IUPAC nameN-[(2S,4S)-4-benzyl-2-hydroxy-5-morpholin-4-yl-5-oxopentyl]-4-nitrobenzenesulfonamide
Molecular weight477.532
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP1.5
SynonymsSCHEMBL17038213
Inchi KeyKMZSAQDUQMOMDY-ICSRJNTNSA-N
Inchi IDInChI=1S/C22H27N3O7S/c26-20(16-23-33(30,31)21-8-6-19(7-9-21)25(28)29)15-18(14-17-4-2-1-3-5-17)22(27)24-10-12-32-13-11-24/h1-9,18,20,23,26H,10-16H2/t18-,20-/m0/s1
PubChem CID118334861
ChEMBLCHEMBL3923227
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
540430Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438

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