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Ligand

NameCHEMBL3264746
Molecular formulaC34H34N2O5
IUPAC name(1S,11R,15R,16R,17S,19S)-22-benzyl-6-hydroxy-12-(2-phenylethyl)-2,4,18-trioxa-12,22-diazaheptacyclo[15.4.2.15,9.01,16.011,19.015,19.015,24]tetracosa-5,7,9(24)-trien-23-one
Molecular weight550.655
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50010657
Inchi KeyBOWOPEVIHUYMAZ-KRGIVBCISA-N
Inchi IDInChI=1S/C34H34N2O5/c37-25-12-11-24-19-26-33-14-15-34-30(29(41-33)31(38)36(34)20-23-9-5-2-6-10-23)32(33,27(24)28(25)39-21-40-34)16-18-35(26)17-13-22-7-3-1-4-8-22/h1-12,26,29-30,37H,13-21H2/t26-,29+,30+,32+,33-,34+/m1/s1
PubChem CID90655827
ChEMBLCHEMBL3264746
IUPHARN/A
BindingDB50010657
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
29200Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
29202Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
29204Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
29205Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
29201Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
29203Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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