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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

NameCHEMBL3633662
Molecular formulaC22H23N3O3
IUPAC name2-[(2-morpholin-4-yl-2-oxoethyl)amino]-1-(2-phenyl-1H-indol-3-yl)ethanone
Molecular weight377.444
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.2
SynonymsBDBM50133684
Inchi KeyCTJPRWOQQKDQRC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23N3O3/c26-19(14-23-15-20(27)25-10-12-28-13-11-25)21-17-8-4-5-9-18(17)24-22(21)16-6-2-1-3-7-16/h1-9,23-24H,10-15H2
PubChem CID122195452
ChEMBLCHEMBL3633662
IUPHARN/A
BindingDB50133684
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
469087G-protein coupled receptor family C group 6 member AQ8K4Z6Gprc6aMus musculus (Mouse)928

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