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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

NameCHEMBL3287620
Molecular formulaC21H23FN2O3
IUPAC name4-[[[(1S,2R)-2-[(4-fluorobenzoyl)amino]cyclohexyl]amino]methyl]benzoic acid
Molecular weight370.424
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP0.9
SynonymsBDBM50021070
Inchi KeyBEVSHJAHVBSZBK-RBUKOAKNSA-N
Inchi IDInChI=1S/C21H23FN2O3/c22-17-11-9-15(10-12-17)20(25)24-19-4-2-1-3-18(19)23-13-14-5-7-16(8-6-14)21(26)27/h5-12,18-19,23H,1-4,13H2,(H,24,25)(H,26,27)/t18-,19+/m0/s1
PubChem CID90644988
ChEMBLCHEMBL3287620
IUPHARN/A
BindingDB50021070
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
21950Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418

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