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I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

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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

NameCHEMBL1202148
Molecular formulaC23H26Cl2N4O+2
IUPAC name1-[3-[4-[(E)-(2,6-dichlorophenyl)methoxyiminomethyl]pyridin-1-ium-1-yl]propyl]-N,N-dimethylpyridin-1-ium-4-amine
Molecular weight445.388
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50368854
CHEMBL33044
Inchi KeyBWLOCITZVICVOC-YZSQISJMSA-N
Inchi IDInChI=1S/C23H26Cl2N4O/c1-27(2)20-9-15-29(16-10-20)12-4-11-28-13-7-19(8-14-28)17-26-30-18-21-22(24)5-3-6-23(21)25/h3,5-10,13-17H,4,11-12,18H2,1-2H3/q+2/b26-17+
PubChem CID10461289
ChEMBLN/A
IUPHARN/A
BindingDB50368854
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
34543Muscarinic acetylcholine receptor M2P06199CHRM2Sus scrofa (Pig)466

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