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Ligand

NameAC1M0X0O
Molecular formulaC9H11NO2S
IUPAC name2-(2-pyridin-1-ium-2-ylethylsulfanyl)acetate
Molecular weight197.252
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.2
Synonyms2-(2-pyridin-1-ium-2-ylethylsulfanyl)acetate
Inchi KeyAXZGRWHZPFHEOQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H11NO2S/c11-9(12)7-13-6-4-8-3-1-2-5-10-8/h1-3,5H,4,6-7H2,(H,11,12)
PubChem CID2058389
ChEMBLN/A
IUPHARN/A
BindingDB37512
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
17241Sphingosine 1-phosphate receptor 3Q99500S1PR3Homo sapiens (Human)378

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