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Ligand

NameCHEMBL3264748
Molecular formulaC31H34N2O5
IUPAC name(1S,11R,15R,16R,17S,19S)-12-(cyclopropylmethyl)-6-hydroxy-22-(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 weight514.622
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50010659
Inchi KeyASWPFFLMSHOYIM-NLIGWKNISA-N
Inchi IDInChI=1S/C31H34N2O5/c34-22-9-8-21-16-23-30-11-12-31-27(26(38-30)28(35)33(31)14-10-19-4-2-1-3-5-19)29(30,24(21)25(22)36-18-37-31)13-15-32(23)17-20-6-7-20/h1-5,8-9,20,23,26-27,34H,6-7,10-18H2/t23-,26+,27+,29+,30-,31+/m1/s1
PubChem CID90655829
ChEMBLCHEMBL3264748
IUPHARN/A
BindingDB50010659
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
13600Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
13603Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
13602Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
13604Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
13601Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
13605Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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