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Ligand

NameCHEMBL181545
Molecular formulaC27H43N3O4S
IUPAC nametert-butyl 2-[2,2-dioxo-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-4H-2lambda6,1,3-benzothiadiazin-3-yl]acetate
Molecular weight505.718
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.9
SynonymsBDBM50153122
{1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-2,2-dioxo-1,4-dihydro-2H-2lambda*6*-benzo[1,2,6]thiadiazin-3-yl}-acetic acid tert-butyl ester
Inchi KeyARSNLQCMDVFQDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H43N3O4S/c1-20(2)21-10-12-23(13-11-21)28-16-14-24(15-17-28)30-25-9-7-6-8-22(25)18-29(35(30,32)33)19-26(31)34-27(3,4)5/h6-9,20-21,23-24H,10-19H2,1-5H3
PubChem CID44394405
ChEMBLCHEMBL181545
IUPHARN/A
BindingDB50153122
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
12728Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
12731Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
12730Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
12729Nociceptin receptorP41146OPRL1Homo sapiens (Human)370

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