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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

NamePROPYLBENZILYLCHOLINE MUSTARD
Molecular formulaC21H26ClNO3
IUPAC name2-[2-chloroethyl(propyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
Molecular weight375.893
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.2
Synonyms2-[2-chloroethyl(propyl)amino]ethyl 2-hydroxy-2,2-diphenylacetate
DTXSID90189732
AC1L1XMW
PRBCM
C12H15ClNO2
[ Show all ]
Inchi KeyADUIJCCNUGTGDH-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H26ClNO3/c1-2-14-23(15-13-22)16-17-26-20(24)21(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,25H,2,13-17H2,1H3
PubChem CID37396
ChEMBLN/A
IUPHARN/A
BindingDB82380
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3095Muscarinic acetylcholine receptor M1P08482Chrm1Rattus norvegicus (Rat)460
3092Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
3093Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589
3094Muscarinic acetylcholine receptor M4P17200CHRM4Gallus gallus (Chicken)490

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