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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameCHEMBL3897835
Molecular formulaC22H25ClN2O3
IUPAC name2-[(2S)-2-[(3-chlorophenoxy)methyl]morpholin-4-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
Molecular weight400.903
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.8
SynonymsBDBM186962
SCHEMBL15746096
US9079895, 64
Inchi KeyXRYWJXIFEBMFIK-FZCLLLDFSA-N
Inchi IDInChI=1S/C22H25ClN2O3/c1-16-11-17-5-2-3-8-21(17)25(16)22(26)14-24-9-10-27-20(13-24)15-28-19-7-4-6-18(23)12-19/h2-8,12,16,20H,9-11,13-15H2,1H3/t16?,20-/m0/s1
PubChem CID71618702
ChEMBLCHEMBL3897835
IUPHARN/A
BindingDB186962
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5467395-hydroxytryptamine receptor 1AQ64264Htr1aMus musculus (Mouse)421
5467415-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
5467385-hydroxytryptamine receptor 2BQ02152Htr2bMus musculus (Mouse)479
546740Alpha-1D adrenergic receptorP97714Adra1dMus musculus (Mouse)562
546742D(4) dopamine receptorP51436Drd4Mus musculus (Mouse)387

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