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Ligand

NameCHEMBL2113658
Molecular formulaC34H36N2O3
IUPAC name(1R,2S,13R,21R)-2-ethoxy-13-ethyl-22-(2-phenylethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-ol
Molecular weight520.673
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50026990
Inchi KeyAYRNZORVOFXDDC-XZLGBSMGSA-N
Inchi IDInChI=1S/C34H36N2O3/c1-3-33-31-25(24-12-8-9-13-26(24)35-31)21-34(38-4-2)28-20-23-14-15-27(37)30(39-33)29(23)32(33,34)17-19-36(28)18-16-22-10-6-5-7-11-22/h5-15,28,35,37H,3-4,16-21H2,1-2H3/t28-,32+,33+,34-/m1/s1
PubChem CID71450938
ChEMBLCHEMBL2113658
IUPHARN/A
BindingDB50026990
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17719Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
17721Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
17720Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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