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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

NameCHEMBL3936182
Molecular formulaC21H27N3O2
IUPAC name(2S)-4-[2-(2,3-dihydroindol-1-yl)ethyl]-2-[(6-methylpyridin-3-yl)oxymethyl]morpholine
Molecular weight353.466
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.8
SynonymsSCHEMBL14061583
US9079895, 28s
BDBM186944
Inchi KeyDQFUJEZGAUMKKT-FQEVSTJZSA-N
Inchi IDInChI=1S/C21H27N3O2/c1-17-6-7-19(14-22-17)26-16-20-15-23(12-13-25-20)10-11-24-9-8-18-4-2-3-5-21(18)24/h2-7,14,20H,8-13,15-16H2,1H3/t20-/m0/s1
PubChem CID71062579
ChEMBLCHEMBL3936182
IUPHARN/A
BindingDB186944
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
5375955-hydroxytryptamine receptor 2AP35363Htr2aMus musculus (Mouse)471
537596D(4) dopamine receptorP51436Drd4Mus musculus (Mouse)387

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