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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 CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

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Ligand

NameCHEMBL2397377
Molecular formulaC20H28N4O
IUPAC name1-adamantyl-[(3R)-3-methyl-4-pyrimidin-4-ylpiperazin-1-yl]methanone
Molecular weight340.471
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.9
SynonymsBDBM50436514
Inchi KeyCFLBXSNLGVYEBB-ZIUDEIKKSA-N
Inchi IDInChI=1S/C20H28N4O/c1-14-12-23(4-5-24(14)18-2-3-21-13-22-18)19(25)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-3,13-17H,4-12H2,1H3/t14-,15?,16?,17?,20?/m1/s1
PubChem CID71682962
ChEMBLCHEMBL2397377
IUPHARN/A
BindingDB50436514
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
40734Metabotropic glutamate receptor 1Q13255GRM1Homo sapiens (Human)1194

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