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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

NameCHEMBL75223
Molecular formulaC18H25N3O3
IUPAC nameN-[(2S)-1-(2,5-dihydropyrrol-1-yl)-3-methylbutan-2-yl]-N-methyl-2-(4-nitrophenyl)acetamide
Molecular weight331.416
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.8
SynonymsN-[(S)-1-(3-Pyrroline-1-ylmethyl)-2-methylpropyl]-N-methyl-4-nitrobenzeneacetamide
Inchi KeyCZRAMINBBGMXAA-QGZVFWFLSA-N
Inchi IDInChI=1S/C18H25N3O3/c1-14(2)17(13-20-10-4-5-11-20)19(3)18(22)12-15-6-8-16(9-7-15)21(23)24/h4-9,14,17H,10-13H2,1-3H3/t17-/m1/s1
PubChem CID44313848
ChEMBLCHEMBL75223
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: 2
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GLASS IDNameUniProtGeneSpeciesLength
54570Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
54569Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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