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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

NameCHEMBL1916228
Molecular formulaC21H31N3O4
IUPAC nameethyl 4-[(3R)-3-[(3-methoxybenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
Molecular weight389.496
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
Synonyms(R)-ethyl 3-(3-methoxybenzamido)-1,4'-bipiperidine-1'-carboxylate
SCHEMBL1618649
BDBM50356971
CNCZYARBRUPEET-QGZVFWFLSA-N
Inchi KeyCNCZYARBRUPEET-QGZVFWFLSA-N
Inchi IDInChI=1S/C21H31N3O4/c1-3-28-21(26)23-12-9-18(10-13-23)24-11-5-7-17(15-24)22-20(25)16-6-4-8-19(14-16)27-2/h4,6,8,14,17-18H,3,5,7,9-13,15H2,1-2H3,(H,22,25)/t17-/m1/s1
PubChem CID57399810
ChEMBLCHEMBL1916228
IUPHARN/A
BindingDB50356971
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
45938Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
45939Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
45937Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
45941Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478
45940Muscarinic acetylcholine receptor M5P08911Chrm5Rattus norvegicus (Rat)531

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