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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

NameSCHEMBL16033642
Molecular formulaC20H21N5O2S
IUPAC name[(2R,5R)-5-methyl-2-(pyridin-2-yloxymethyl)thiomorpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
Molecular weight395.481
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.2
SynonymsUS9029364, 2
BDBM158204
Inchi KeyAIVALBMEWJKNRY-HZPDHXFCSA-N
Inchi IDInChI=1S/C20H21N5O2S/c1-15-14-28-16(13-27-19-8-4-5-9-21-19)12-24(15)20(26)17-6-2-3-7-18(17)25-22-10-11-23-25/h2-11,15-16H,12-14H2,1H3/t15-,16-/m1/s1
PubChem CID71526140
ChEMBLN/A
IUPHARN/A
BindingDB158204
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
557461Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
557460Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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