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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

NameSCHEMBL2299672
Molecular formulaC15H18N2O2
IUPAC nameN-[2-[(8R)-2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl]ethyl]acetamide
Molecular weight258.321
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.5
SynonymsCHEMBL3648357
BDBM103444
US8552037, 91
Inchi KeyCCRUCMHMQXUZAT-GFCCVEGCSA-N
Inchi IDInChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1
PubChem CID23725513
ChEMBLCHEMBL3648357
IUPHARN/A
BindingDB103444
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
38894Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
38895Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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