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Ligand

NameCHEMBL442709
Molecular formulaC21H21NO2S
IUPAC name(4R,4aR,7S,7aR,12bS)-3-methyl-9-thiophen-3-yl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Molecular weight351.464
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
SynonymsBDBM50283519
4-methyl-10-(3-thienyl)-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol
Inchi KeyAQBOBFADHSBHCU-ZCZMFWIKSA-N
Inchi IDInChI=1S/C21H21NO2S/c1-22-8-7-21-15-4-5-17(23)20(21)24-19-14(13-6-9-25-11-13)3-2-12(18(19)21)10-16(15)22/h2-6,9,11,15-17,20,23H,7-8,10H2,1H3/t15-,16+,17-,20-,21-/m0/s1
PubChem CID44319000
ChEMBLCHEMBL442709
IUPHARN/A
BindingDB50283519
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
11549Delta-type opioid receptorP41143OPRD1Homo sapiens (Human)372
11550Kappa-type opioid receptorP41144OPRK1Cavia porcellus (Guinea pig)380
11551Mu-type opioid receptorP97266OPRM1Cavia porcellus (Guinea pig)98

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