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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

NameCHEMBL192065
Molecular formulaC23H23NO3
IUPAC name4-(3-azabicyclo[3.1.0]hexan-3-yl)but-2-ynyl 2-hydroxy-2,2-diphenylacetate
Molecular weight361.441
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.2
SynonymsHydroxy-diphenyl-acetic acid 4-(3-aza-bicyclo[3.1.0]hex-3-yl)-but-2-ynyl ester
BDBM50165012
Inchi KeyFFFPBQIUJCFZFA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H23NO3/c25-22(27-14-8-7-13-24-16-18-15-19(18)17-24)23(26,20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-6,9-12,18-19,26H,13-17H2
PubChem CID44400323
ChEMBLCHEMBL192065
IUPHARN/A
BindingDB50165012
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
77043Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
77042Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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