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Ligand

NameBDBM50290388
Molecular formulaC28H30N2O3
IUPAC name(1R,2S,13R)-2-ethoxy-13-methyl-22-prop-2-enyl-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 weight442.559
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.3
Synonyms22-allyl-2-ethoxy-13-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaen-16-ol
Inchi KeyDGQGMYGYVZPSDF-OZCDKMRVSA-N
Inchi IDInChI=1S/C28H30N2O3/c1-4-13-30-14-12-27-23-17-10-11-21(31)24(23)33-26(27,3)25-19(18-8-6-7-9-20(18)29-25)16-28(27,32-5-2)22(30)15-17/h4,6-11,22,29,31H,1,5,12-16H2,2-3H3/t22?,26-,27-,28+/m0/s1
PubChem CID11744078
ChEMBLN/A
IUPHARN/A
BindingDB50290388
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
59513Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
59514Kappa-type opioid receptorP34975Oprk1Rattus norvegicus (Rat)380
59515Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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