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Ligand

NameCHEMBL2086666
Molecular formulaC22H28N4O5S
IUPAC nametert-butyl (1S,4S)-5-[5-[(4-methylsulfonylphenyl)methoxy]pyrimidin-2-yl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
Molecular weight460.549
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.3
SynonymsBDBM50420857
Inchi KeyHJXNBIOSQIYJTB-IRXDYDNUSA-N
Inchi IDInChI=1S/C22H28N4O5S/c1-22(2,3)31-21(27)26-13-16-9-17(26)12-25(16)20-23-10-18(11-24-20)30-14-15-5-7-19(8-6-15)32(4,28)29/h5-8,10-11,16-17H,9,12-14H2,1-4H3/t16-,17-/m0/s1
PubChem CID58190395
ChEMBLCHEMBL2086666
IUPHARN/A
BindingDB50420857
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
116931Glucose-dependent insulinotropic receptorQ8TDV5GPR119Homo sapiens (Human)335
116932Glucose-dependent insulinotropic receptorQ7TQP3Gpr119Mus musculus (Mouse)335

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