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Ligand

NameSMR000091760
Molecular formulaC20H15N5O3S
IUPAC name2-[1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]isoindole-1,3-dione
Molecular weight405.432
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.8
SynonymsMLS000114360
2-[1-[3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]isoindole-1,3-dione
Oprea1_668724
MLS002585277
AC1N75F9
[ Show all ]
Inchi KeyABAGTJARVQFMJH-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15N5O3S/c1-11(24-18(26)14-5-3-4-6-15(14)19(24)27)17-23-25-16(21-22-20(25)29-17)12-7-9-13(28-2)10-8-12/h3-11H,1-2H3
PubChem CID4246341
ChEMBLCHEMBL1360426
IUPHARN/A
BindingDB42483
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
687Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
685Neuropeptide Y receptor type 1P25929NPY1RHomo sapiens (Human)384
686Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381
463028Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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