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Ligand

NameBDBM86519
Molecular formulaC21H25NO5
IUPAC name(9-acetyloxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl) acetate
Molecular weight371.433
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.5
SynonymsCAS_11221
NSC_11221
Inchi KeyNCXVKLDKUADJPV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3
PubChem CID9929347
ChEMBLN/A
IUPHARN/A
BindingDB86519
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
220309Kappa-type opioid receptorQ2KIP6OPRK1Bos taurus (Bovine)380
220311Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
220310Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401

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