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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

NameCHEMBL194870
Molecular formulaC23H22F2N2O2
IUPAC nameN-[4-(3-azabicyclo[3.1.0]hexan-3-yl)but-2-ynyl]-2,2-bis(4-fluorophenyl)-2-hydroxyacetamide
Molecular weight396.438
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.8
SynonymsBDBM50165013
N-[4-(3-Aza-bicyclo[3.1.0]hex-3-yl)-but-2-ynyl]-2,2-bis-(4-fluoro-phenyl)-2-hydroxy-acetamide
Inchi KeyCSRMKZBLAHZGOX-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22F2N2O2/c24-20-7-3-18(4-8-20)23(29,19-5-9-21(25)10-6-19)22(28)26-11-1-2-12-27-14-16-13-17(16)15-27/h3-10,16-17,29H,11-15H2,(H,26,28)
PubChem CID44400762
ChEMBLCHEMBL194870
IUPHARN/A
BindingDB50165013
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
49673Muscarinic acetylcholine receptor M2P10980Chrm2Rattus norvegicus (Rat)466
49672Muscarinic acetylcholine receptor M3P08483Chrm3Rattus norvegicus (Rat)589

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