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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

NameCHEMBL3896204
Molecular formulaC21H26N2O3
IUPAC name(2R,4S)-5-amino-2-benzyl-4-hydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pentanamide
Molecular weight354.45
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP1.2
SynonymsSCHEMBL15713420
Inchi KeyNKUZGROJKAJNEI-BWPNAZKDSA-N
Inchi IDInChI=1S/C21H26N2O3/c22-13-17(24)11-16(10-14-6-2-1-3-7-14)21(26)23-20-18-9-5-4-8-15(18)12-19(20)25/h1-9,16-17,19-20,24-25H,10-13,22H2,(H,23,26)/t16-,17+,19-,20+/m1/s1
PubChem CID90153684
ChEMBLCHEMBL3896204
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
541899Vasoactive intestinal polypeptide receptor 2P41587VIPR2Homo sapiens (Human)438

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