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Ligand

NameCHEMBL2397017
Molecular formulaC30H29N3O4
IUPAC nameN-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]quinoline-2-carboxamide
Molecular weight495.579
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.2
SynonymsN/A
Inchi KeyABLVJJLALUMAFD-BJXGRRSKSA-N
Inchi IDInChI=1S/C30H29N3O4/c34-22-10-8-19-15-24-30(32-28(36)21-9-7-18-3-1-2-4-20(18)31-21)12-11-23(35)27-29(30,25(19)26(22)37-27)13-14-33(24)16-17-5-6-17/h1-4,7-10,17,24,27,34H,5-6,11-16H2,(H,32,36)/t24-,27+,29+,30-/m1/s1
PubChem CID71681077
ChEMBLCHEMBL2397017
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
948Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
947Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
949Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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