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Ligand

NameCHEMBL606607
Molecular formulaC27H30N2O3
IUPAC name(1S,2S,13S,21R)-22-(3-methylbutyl)-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)-heptaene-2,16-diol
Molecular weight430.548
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.3
SynonymsBDBM50002079
Inchi KeyBEVXSLFDRXFERL-ORZNUPDKSA-N
Inchi IDInChI=1S/C27H30N2O3/c1-15(2)9-11-29-12-10-26-22-16-7-8-20(30)24(22)32-25(26)23-18(14-27(26,31)21(29)13-16)17-5-3-4-6-19(17)28-23/h3-8,15,21,25,28,30-31H,9-14H2,1-2H3/t21-,25-,26+,27-/m1/s1
PubChem CID46878225
ChEMBLCHEMBL606607
IUPHARN/A
BindingDB50002079
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
21956Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
21958Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
21957Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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