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Ligand

NameCHEMBL3927571
Molecular formulaC22H29N3O6S
IUPAC name(2R,4S)-2-benzyl-N-butyl-4-hydroxy-5-[(4-nitrophenyl)sulfonylamino]pentanamide
Molecular weight463.549
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.9
SynonymsSCHEMBL17038226
Inchi KeyFOJVWQCGYVBHCV-QUCCMNQESA-N
Inchi IDInChI=1S/C22H29N3O6S/c1-2-3-13-23-22(27)18(14-17-7-5-4-6-8-17)15-20(26)16-24-32(30,31)21-11-9-19(10-12-21)25(28)29/h4-12,18,20,24,26H,2-3,13-16H2,1H3,(H,23,27)/t18-,20+/m1/s1
PubChem CID118334874
ChEMBLCHEMBL3927571
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
538052Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438

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