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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

NameCHEMBL1916225
Molecular formulaC21H30FN3O3
IUPAC nameethyl 4-[(3R)-3-[(4-fluoro-2-methylbenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
Molecular weight391.487
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.1
SynonymsBDBM50356968
SCHEMBL1618621
Inchi KeyCBBFRJXEYNSBNX-QGZVFWFLSA-N
Inchi IDInChI=1S/C21H30FN3O3/c1-3-28-21(27)24-11-8-18(9-12-24)25-10-4-5-17(14-25)23-20(26)19-7-6-16(22)13-15(19)2/h6-7,13,17-18H,3-5,8-12,14H2,1-2H3,(H,23,26)/t17-/m1/s1
PubChem CID46873657
ChEMBLCHEMBL1916225
IUPHARN/A
BindingDB50356968
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
37693Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
37694Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
37692Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
37695Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478
37696Muscarinic acetylcholine receptor M5P08911Chrm5Rattus norvegicus (Rat)531

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