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Ligand

NameCHEMBL329719
Molecular formulaC26H25NO4
IUPAC name(2S,13R)-22-(2-methylprop-2-enyl)-11,14-dioxa-22-azaheptacyclo[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 weight415.489
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM50105776
22-(2-methylallyl)-(2S,13R)-11,14-dioxa-22-azaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol
Inchi KeyBBXYTWYGJXPWTP-RFTKNZGOSA-N
Inchi IDInChI=1S/C26H25NO4/c1-14(2)13-27-10-9-25-21-15-7-8-18(28)23(21)31-24(25)22-17(12-26(25,29)20(27)11-15)16-5-3-4-6-19(16)30-22/h3-8,20,24,28-29H,1,9-13H2,2H3/t20?,24-,25?,26+/m0/s1
PubChem CID44329698
ChEMBLCHEMBL329719
IUPHARN/A
BindingDB50105776
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19937Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
465333Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
19939Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
465335Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
19938Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
465334Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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