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Ligand

NameOrexin receptor antagonist 32
Molecular formulaC21H19N5O2S
IUPAC name2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylthiophene-3-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile
Molecular weight405.476
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.7
SynonymsSCHEMBL14876838
CHEMBL3642145
US20130102619, 32
BDBM97400
Inchi KeyXNCRERPJAUJAFZ-GDBMZVCRSA-N
Inchi IDInChI=1S/C21H19N5O2S/c1-14-3-4-16(28-18-11-15(12-22)5-9-23-18)13-26(14)21(27)17-6-10-29-19(17)20-24-7-2-8-25-20/h2,5-11,14,16H,3-4,13H2,1H3/t14-,16-/m1/s1
PubChem CID71526568
ChEMBLCHEMBL3642145
IUPHARN/A
BindingDB97400
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
396184Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
396187Orexin receptor type 1P56718Hcrtr1Rattus norvegicus (Rat)416
396185Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444
396186Orexin receptor type 2P56719Hcrtr2Rattus norvegicus (Rat)460

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