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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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Ligand

NameAC1L1I54
Molecular formulaC26H27N3O4
IUPAC nameN-[(4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene)amino]benzamide
Molecular weight445.519
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.5
SynonymsCTK8E6900
HMS3267J08
Inchi KeyAKXCFAYOTIEFOH-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H27N3O4/c1-2-13-29-14-12-25-21-17-8-9-19(30)22(21)33-23(25)18(10-11-26(25,32)20(29)15-17)27-28-24(31)16-6-4-3-5-7-16/h2-9,20,23,30,32H,1,10-15H2,(H,28,31)
PubChem CID4426
ChEMBLN/A
IUPHARN/A
BindingDB92848
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: 6
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7988Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
7989Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
7990Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
7986Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
7987Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400
555510Nociceptin receptorP35377Oprl1Mus musculus (Mouse)367

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