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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

NameCHEMBL2397891
Molecular formulaC15H18N2O
IUPAC name(11aR)-7-cyclopropyl-1,2,3,4,11,11a-hexahydropyrazino[1,2-b]isoquinolin-6-one
Molecular weight242.322
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP1.7
SynonymsSCHEMBL13119281
Inchi KeyANCCVNZGJCOSCD-GFCCVEGCSA-N
Inchi IDInChI=1S/C15H18N2O/c18-15-14-11(2-1-3-13(14)10-4-5-10)8-12-9-16-6-7-17(12)15/h1-3,10,12,16H,4-9H2/t12-/m1/s1
PubChem CID58911579
ChEMBLCHEMBL2397891
IUPHARN/A
BindingDBN/A
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
94315-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
94305-hydroxytryptamine receptor 2BP41595HTR2BHomo sapiens (Human)481
94325-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458

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