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Ligand

NameCHEMBL2030161
Molecular formulaC28H30N2O3S
IUPAC nameethyl 3-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]benzoate
Molecular weight474.619
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.0
SynonymsSCHEMBL15919676
BDBM50384199
Inchi KeyAEXOPXROZSKCGV-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H30N2O3S/c1-2-33-26(31)21-10-9-15-25(20-21)29-27(34)30-18-16-24(17-19-30)28(32,22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-15,20,24,32H,2,16-19H2,1H3,(H,29,34)
PubChem CID70687926
ChEMBLCHEMBL2030161
IUPHARN/A
BindingDB50384199
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
3941Neuropeptide Y receptor type 2P49146NPY2RHomo sapiens (Human)381

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