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Ligand

NameCHEMBL1281
Molecular formulaC17H21NO3
IUPAC name(4R,7S,7aR,12bS)-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
Molecular weight287.359
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP1.8
SynonymsBDBM50021325
4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,14-diol(DHM)
SCHEMBL12402795
Inchi KeyIJVCSMSMFSCRME-OONJBDFYSA-N
Inchi IDInChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1
PubChem CID25126776
ChEMBLN/A
IUPHARN/A
BindingDB50021325
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: 9
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
134990Delta-type opioid receptorP32300Oprd1Mus musculus (Mouse)372
134992Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
460448Delta-type opioid receptorP79291OPRD1Sus scrofa (Pig)228
134989Kappa-type opioid receptorP41145OPRK1Homo sapiens (Human)380
134991Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
134986Mu-type opioid receptorP79350OPRM1Bos taurus (Bovine)401
134987Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98
134988Mu-type opioid receptorP33535Oprm1Rattus norvegicus (Rat)398
556003Mu-type opioid receptorP35372OPRM1Homo sapiens (Human)400

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