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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

NameCHEMBL3287626
Molecular formulaC21H24Cl2N2O2
IUPAC nameN-[(1R,2S)-2-[(3,4-dichlorophenyl)methylamino]cyclohexyl]-4-methoxybenzamide
Molecular weight407.335
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM50021108
Inchi KeyAXYZRVDDVUCZDW-VQTJNVASSA-N
Inchi IDInChI=1S/C21H24Cl2N2O2/c1-27-16-9-7-15(8-10-16)21(26)25-20-5-3-2-4-19(20)24-13-14-6-11-17(22)18(23)12-14/h6-12,19-20,24H,2-5,13H2,1H3,(H,25,26)/t19-,20+/m0/s1
PubChem CID90645012
ChEMBLCHEMBL3287626
IUPHARN/A
BindingDB50021108
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
17234Somatostatin receptor type 3P32745SSTR3Homo sapiens (Human)418

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