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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

NameCHEMBL3298590
Molecular formulaC18H21ClN2O2S
IUPAC name[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-(2-phenylthiophen-3-yl)carbamate;hydrochloride
Molecular weight364.888
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogPNone
SynonymsBDBM50021907
Inchi KeyBTLAQJCQPOSTCM-PKLMIRHRSA-N
Inchi IDInChI=1S/C18H20N2O2S.ClH/c21-18(22-16-12-20-9-6-13(16)7-10-20)19-15-8-11-23-17(15)14-4-2-1-3-5-14;/h1-5,8,11,13,16H,6-7,9-10,12H2,(H,19,21);1H/t16-;/m1./s1
PubChem CID90645351
ChEMBLCHEMBL3298590
IUPHARN/A
BindingDB50021907
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32434Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
32433Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
32432Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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