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Ligand

NameCHEMBL26883
Molecular formulaC25H30N2O5
IUPAC name(E)-N-[(7R)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-4-oxopent-2-enamide
Molecular weight438.524
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP-0.4
SynonymsN/A
Inchi KeyBRLIETXDCIOKOG-KKVZSUDGSA-N
Inchi IDInChI=1S/C25H30N2O5/c1-14(28)2-7-20(30)26-17-8-9-25(31)19-12-16-5-6-18(29)22-21(16)24(25,23(17)32-22)10-11-27(19)13-15-3-4-15/h2,5-7,15,17,19,23,29,31H,3-4,8-13H2,1H3,(H,26,30)/b7-2+/t17-,19?,23?,24?,25?/m1/s1
PubChem CID44275997
ChEMBLCHEMBL26883
IUPHARN/A
BindingDBN/A
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
31101Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
31099Mu-type opioid receptorP42866Oprm1Mus musculus (Mouse)398
31100Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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