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Ligand

NameCID 10077178
Molecular formulaC33H36O8S
IUPAC nameethyl 3-methyl-1-oxo-7,8-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiine-2-carboxylate
Molecular weight592.703
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.2
SynonymsN/A
Inchi KeyAIYPPEFHXOWYPZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H36O8S/c1-3-37-32(34)30-23(2)40-33-31(42(30)35)29(39-21-26-17-11-6-12-18-26)28(38-20-25-15-9-5-10-16-25)27(41-33)22-36-19-24-13-7-4-8-14-24/h4-18,27-29,31,33H,3,19-22H2,1-2H3
PubChem CID10077178
ChEMBLCHEMBL308176
IUPHARN/A
BindingDBN/A
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6655Substance-K receptorP21452TACR2Homo sapiens (Human)398

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