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Ligand

NameBDBM50027090
Molecular formulaC22H25BrN2O4
IUPAC name2-bromo-N-[(1R,14R,15R,16S)-11-hydroxy-15-methoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]acetamide
Molecular weight461.356
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.2
Synonyms1N-(11-hydroxy-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)-2-bromoacetamide
Inchi KeyACZLURNJNGLBMO-PRKPGHIVSA-N
Inchi IDInChI=1S/C22H25BrN2O4/c1-25-8-7-21-17-12-3-4-13(26)18(17)29-19(21)22(28-2)6-5-20(21,15(25)9-12)10-14(22)24-16(27)11-23/h3-6,14-15,19,26H,7-11H2,1-2H3,(H,24,27)/t14-,15?,19+,20+,21?,22+/m0/s1
PubChem CID44286675
ChEMBLN/A
IUPHARN/A
BindingDB50027090
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
2052Delta-type opioid receptorP33533Oprd1Rattus norvegicus (Rat)372
2053Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398

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