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Ligand

NameCHEMBL2163544
Molecular formulaC26H29N3O4
IUPAC nameN-[(4R,4aS,7R,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-aminobenzamide
Molecular weight447.535
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP0.5
SynonymsBDBM50395109
Inchi KeyANIPKBHQLXNORM-HJUABUFYSA-N
Inchi IDInChI=1S/C26H29N3O4/c1-2-11-29-12-10-25-21-15-6-7-19(30)22(21)33-23(25)18(8-9-26(25,32)20(29)14-15)28-24(31)16-4-3-5-17(27)13-16/h2-7,13,18,20,23,30,32H,1,8-12,14,27H2,(H,28,31)/t18-,20-,23+,25+,26-/m1/s1
PubChem CID60195558
ChEMBLCHEMBL2163544
IUPHARN/A
BindingDB50395109
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
9604Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
9603Kappa-type opioid receptorP33534Oprk1Mus musculus (Mouse)380
9605Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398

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