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Ligand

NameCHEMBL2030179
Molecular formulaC26H30N4O3S2
IUPAC nameN-[4-(dimethylsulfamoyl)phenyl]-4-(hydroxy-phenyl-pyridin-2-ylmethyl)piperidine-1-carbothioamide
Molecular weight510.671
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.9
SynonymsBDBM50384227
SCHEMBL15920053
Inchi KeyBXCYJXBBWDBDTI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H30N4O3S2/c1-29(2)35(32,33)23-13-11-22(12-14-23)28-25(34)30-18-15-21(16-19-30)26(31,20-8-4-3-5-9-20)24-10-6-7-17-27-24/h3-14,17,21,31H,15-16,18-19H2,1-2H3,(H,28,34)
PubChem CID70687927
ChEMBLCHEMBL2030179
IUPHARN/A
BindingDB50384227
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
34976Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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