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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

NameCHEMBL2315680
Molecular formulaC20H27F3N4O3
IUPAC nameethyl 4-[(3R)-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]piperidin-1-yl]piperidine-1-carboxylate
Molecular weight428.456
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP2.5
SynonymsBDBM50424117
Inchi KeyGRLHAVISXZHNTO-OAHLLOKOSA-N
Inchi IDInChI=1S/C20H27F3N4O3/c1-2-30-19(29)26-10-7-16(8-11-26)27-9-3-4-15(13-27)25-18(28)14-5-6-17(24-12-14)20(21,22)23/h5-6,12,15-16H,2-4,7-11,13H2,1H3,(H,25,28)/t15-/m1/s1
PubChem CID71716773
ChEMBLCHEMBL2315680
IUPHARN/A
BindingDB50424117
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
103508Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
103510Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
103511Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
103512Muscarinic acetylcholine receptor M4P08485Chrm4Rattus norvegicus (Rat)478
103509Muscarinic acetylcholine receptor M5P08911Chrm5Rattus norvegicus (Rat)531

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